methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-naphthalen-1-ylsulfonyl-amino]methyl]piperidine-1-carboxylate

Systemtic Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-naphthalen-1-ylsulfonyl-amino]methyl]piperidine-1-carboxylate Openeye Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(1-naphthylsulfonyl)amino]methyl]piperidine-1-carboxylate CAS Name: 4-[[[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(1-naphthalenylsulfonyl)amino]methyl]-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-naphthalen-1-ylsulfonylamino]methyl]piperidine-1-carboxylate Traditional Name: 4-[[[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-(1-naphthylsulfonyl)amino]methyl]piperidine-1-carboxylic acid methyl ester Formula: C33H36N6O4S MolecularWeight: 612.74174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)C5=CC=CC6=CC=CC=C65

Isomeric SMILES

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)C5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C33H36N6O4S/c1-36-23-35-19-29(36)22-38-21-28(17-27-16-25(18-34)10-11-31(27)38)39(20-24-12-14-37(15-13-24)33(40)43-2)44(41,42)32-9-5-7-26-6-3-4-8-30(26)32/h3-11,16,19,23-24,28H,12-15,17,20-22H2,1-2H3