N-(cyclooctylideneamino)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide

Systemtic Name: N-(cyclooctylideneamino)-2-[(4-nitrophenyl)-(phenylsulfonyl)amino]ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-(cyclooctylideneamino)acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(cyclooctylideneamino)acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(cyclooctylideneamino)acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-(cyclooctylideneamino)acetamide Formula: C22H26N4O5S MolecularWeight: 458.53064

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(=NNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CCC1

Isomeric SMILES

C1CCCC(=NNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3)CCC1

InChI

InChI=1S/C22H26N4O5S/c27-22(24-23-18-9-5-2-1-3-6-10-18)17-25(19-13-15-20(16-14-19)26(28)29)32(30,31)21-11-7-4-8-12-21/h4,7-8,11-16H,1-3,5-6,9-10,17H2,(H,24,27)