3-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-N-[2-pyrrolidino-2-(2-thienyl)ethyl]benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S2/c27-23(24-18-21(22-11-8-16-30-22)25-12-5-6-13-25)19-9-7-10-20(17-19)31(28,29)26-14-3-1-2-4-15-26/h7-11,16-17,21H,1-6,12-15,18H2,(H,24,27)