2-[(4-nitrophenyl)-(phenylsulfonyl)amino]-N-(3-piperidin-1-ylpropyl)ethanamide

Systemtic Name: 2-[(4-nitrophenyl)-(phenylsulfonyl)amino]-N-(3-piperidin-1-ylpropyl)ethanamide Openeye Name: 2-[N-(benzenesulfonyl)-4-nitro-anilino]-N-[3-(1-piperidyl)propyl]acetamide CAS Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(1-piperidinyl)propyl]acetamide IUPAC Name: 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-piperidin-1-ylpropyl)acetamide Traditional Name: 2-(N-besyl-4-nitro-anilino)-N-(3-piperidinopropyl)acetamide Formula: C22H28N4O5S MolecularWeight: 460.54652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCCNC(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H28N4O5S/c27-22(23-14-7-17-24-15-5-2-6-16-24)18-25(19-10-12-20(13-11-19)26(28)29)32(30,31)21-8-3-1-4-9-21/h1,3-4,8-13H,2,5-7,14-18H2,(H,23,27)