N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-phenyl-amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)sulfonyl-phenyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide Formula: C24H33N3O4S MolecularWeight: 459.60152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C24H33N3O4S/c1-31-22-12-14-23(15-13-22)32(29,30)27(21-10-5-4-6-11-21)20-24(28)25-16-9-19-26-17-7-2-3-8-18-26/h4-6,10-15H,2-3,7-9,16-20H2,1H3,(H,25,28)