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

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-methoxyphenyl)-(4-methyl-3-nitro-phenyl)sulfonyl-amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-N-(4-methyl-3-nitrophenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-N-(4-methyl-3-nitro-phenyl)sulfonyl-anilino)acetamide Formula: C25H34N4O6S MolecularWeight: 518.62566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(CC(=O)NCCCN2CCCCCC2)C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H34N4O6S/c1-20-8-13-23(18-24(20)29(31)32)36(33,34)28(21-9-11-22(35-2)12-10-21)19-25(30)26-14-7-17-27-15-5-3-4-6-16-27/h8-13,18H,3-7,14-17,19H2,1-2H3,(H,26,30)