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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-4-pyrrolidinosulfonyl-benzamide Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CSC=C4

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CSC=C4

InChI

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