[4-(azepan-1-ylsulfonyl)phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-benzyl-1-piperidyl)methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-benzylpiperidin-1-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-(4-benzylpiperidino)methanone Formula: C25H32N2O3S MolecularWeight: 440.59818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H32N2O3S/c28-25(26-18-14-22(15-19-26)20-21-8-4-3-5-9-21)23-10-12-24(13-11-23)31(29,30)27-16-6-1-2-7-17-27/h3-5,8-13,22H,1-2,6-7,14-20H2