3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-pyrrolidino-2-(2-thienyl)ethyl]propionamide Formula: C25H35N3O3S2 MolecularWeight: 489.6937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC(C3=CC=CS3)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCC(C3=CC=CS3)N4CCCC4

InChI

InChI=1S/C25H35N3O3S2/c29-25(26-20-23(24-8-7-19-32-24)27-15-5-6-16-27)14-11-21-9-12-22(13-10-21)33(30,31)28-17-3-1-2-4-18-28/h7-10,12-13,19,23H,1-6,11,14-18,20H2,(H,26,29)