N-[3-(azepan-1-yl)propyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(3-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-3-nitro-anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[N-(benzenesulfonyl)-3-nitroanilino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-3-nitroanilino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-besyl-3-nitro-anilino)acetamide Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCCNC(=O)CN(C2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O5S/c28-23(24-14-9-17-25-15-6-1-2-7-16-25)19-26(20-10-8-11-21(18-20)27(29)30)33(31,32)22-12-4-3-5-13-22/h3-5,8,10-13,18H,1-2,6-7,9,14-17,19H2,(H,24,28)