N-[1-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperidin-4-yl]thiophene-2-sulfonamide

Systemtic Name: N-[1-(3-nitro-4-phenylazanyl-phenyl)carbonylpiperidin-4-yl]thiophene-2-sulfonamide Openeye Name: N-[1-(4-anilino-3-nitro-benzoyl)-4-piperidyl]thiophene-2-sulfonamide CAS Name: N-[1-[(4-anilino-3-nitrophenyl)-oxomethyl]-4-piperidinyl]-2-thiophenesulfonamide IUPAC Name: N-[1-(4-anilino-3-nitrobenzoyl)piperidin-4-yl]thiophene-2-sulfonamide Traditional Name: N-[1-(4-anilino-3-nitro-benzoyl)-4-piperidyl]thiophene-2-sulfonamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=CS2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=CS2)C(=O)C3=CC(=C(C=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S2/c27-22(25-12-10-18(11-13-25)24-33(30,31)21-7-4-14-32-21)16-8-9-19(20(15-16)26(28)29)23-17-5-2-1-3-6-17/h1-9,14-15,18,23-24H,10-13H2