3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-1-(2-thiophen-2-yl-1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)propan-1-one Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-1-[2-(2-thienyl)pyrrolidino]propan-1-one Formula: C23H30N2O3S2 MolecularWeight: 446.6259

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC=CS4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)N3CCCC3C4=CC=CS4

InChI

InChI=1S/C23H30N2O3S2/c26-23(25-17-5-7-21(25)22-8-6-18-29-22)14-11-19-9-12-20(13-10-19)30(27,28)24-15-3-1-2-4-16-24/h6,8-10,12-13,18,21H,1-5,7,11,14-17H2