3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(phenylmethyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-benzylpyrrolidin-1-yl)propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-[2-(phenylmethyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-benzylpyrrolidin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-benzylpyrrolidino)propan-1-one Formula: C26H34N2O3S MolecularWeight: 454.62476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3CC4=CC=CC=C4

InChI

InChI=1S/C26H34N2O3S/c29-26(28-20-8-11-24(28)21-23-9-4-3-5-10-23)17-14-22-12-15-25(16-13-22)32(30,31)27-18-6-1-2-7-19-27/h3-5,9-10,12-13,15-16,24H,1-2,6-8,11,14,17-21H2