N-[3-(azepan-1-yl)propyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-[3-(azepan-1-yl)propyl]-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-4-nitro-anilino]acetamide CAS Name: N-[3-(1-azepanyl)propyl]-2-[N-(benzenesulfonyl)-4-nitroanilino]acetamide IUPAC Name: N-[3-(azepan-1-yl)propyl]-2-[N-(benzenesulfonyl)-4-nitroanilino]acetamide Traditional Name: N-[3-(azepan-1-yl)propyl]-2-(N-besyl-4-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=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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