N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonyl-2-thienyl)acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(5-pyrrolidinosulfonyl-2-thienyl)acetamide Formula: C22H29N3O5S3 MolecularWeight: 511.67776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CC3=CC=C(S3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H29N3O5S3/c26-21(17-19-10-11-22(31-19)33(29,30)25-14-5-6-15-25)23-18-8-7-9-20(16-18)32(27,28)24-12-3-1-2-4-13-24/h7-11,16H,1-6,12-15,17H2,(H,23,26)