ethyl 2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-[[1-(2-naphthylsulfonyl)azepan-4-yl]amino]pyrimidine-5-carboxylate CAS Name: 2-[[1-(2-naphthalenylsulfonyl)-4-azepanyl]amino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1-naphthalen-2-ylsulfonylazepan-4-yl)amino]pyrimidine-5-carboxylate Traditional Name: 2-[[1-(2-naphthylsulfonyl)azepan-4-yl]amino]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)NC2CCCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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