ethyl 6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[[1-(2-naphthylsulfonyl)azepan-4-yl]amino]pyridine-3-carboxylate CAS Name: 6-[[1-(2-naphthalenylsulfonyl)-4-azepanyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyridine-3-carboxylate Traditional Name: 6-[[1-(2-naphthylsulfonyl)azepan-4-yl]amino]nicotinic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)NC2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)NC2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H27N3O4S/c1-2-31-24(28)20-10-12-23(25-17-20)26-21-8-5-14-27(15-13-21)32(29,30)22-11-9-18-6-3-4-7-19(18)16-22/h3-4,6-7,9-12,16-17,21H,2,5,8,13-15H2,1H3,(H,25,26)