N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[methyl(2-thienylsulfonyl)amino]butanamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-4-[methyl(2-thienylsulfonyl)amino]butyramide Formula: C21H29N3O5S3 MolecularWeight: 499.66706

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CCCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCCC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H29N3O5S3/c1-23(32(28,29)21-12-8-16-30-21)13-7-11-20(25)22-18-9-6-10-19(17-18)31(26,27)24-14-4-2-3-5-15-24/h6,8-10,12,16-17H,2-5,7,11,13-15H2,1H3,(H,22,25)