N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-sulfonamide

Systemtic Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-sulfonamide Openeye Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-sulfonamide CAS Name: N-[6-cyano-1-[(3-methyl-4-imidazolyl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-[(4-methylsulfonylphenyl)methyl]-2-pyridinesulfonamide IUPAC Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-2-sulfonamide Traditional Name: N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(4-mesylbenzyl)pyridine-2-sulfonamide Formula: C28H28N6O4S2 MolecularWeight: 576.68972

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4=CC=C(C=C4)S(=O)(=O)C)S(=O)(=O)C5=CC=CC=N5

Isomeric SMILES

CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4=CC=C(C=C4)S(=O)(=O)C)S(=O)(=O)C5=CC=CC=N5

InChI

InChI=1S/C28H28N6O4S2/c1-32-20-30-16-25(32)19-33-18-24(14-23-13-22(15-29)8-11-27(23)33)34(40(37,38)28-5-3-4-12-31-28)17-21-6-9-26(10-7-21)39(2,35)36/h3-13,16,20,24H,14,17-19H2,1-2H3