ethyl 2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-[[1-(2-naphthylsulfonyl)-3-piperidyl]methylamino]pyrimidine-5-carboxylate CAS Name: 2-[[1-(2-naphthalenylsulfonyl)-3-piperidinyl]methylamino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-naphthalen-2-ylsulfonylpiperidin-3-yl)methylamino]pyrimidine-5-carboxylate Traditional Name: 2-[[1-(2-naphthylsulfonyl)-3-piperidyl]methylamino]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1)NCC2CCCN(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1)NCC2CCCN(C2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H26N4O4S/c1-2-31-22(28)20-14-25-23(26-15-20)24-13-17-6-5-11-27(16-17)32(29,30)21-10-9-18-7-3-4-8-19(18)12-21/h3-4,7-10,12,14-15,17H,2,5-6,11,13,16H2,1H3,(H,24,25,26)