1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-(phenylmethyl)piperidine

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperidine CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-(phenylmethyl)piperidine IUPAC Name: 4-benzyl-1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperidine Traditional Name: 4-benzyl-1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperidine Formula: C22H27N3O4S MolecularWeight: 429.53248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCC(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S/c26-25(27)22-17-20(30(28,29)24-12-4-5-13-24)8-9-21(22)23-14-10-19(11-15-23)16-18-6-2-1-3-7-18/h1-3,6-9,17,19H,4-5,10-16H2