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

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-4-[methyl(2-thienylsulfonyl)amino]butanamide CAS Name: N-[2-(1-azepanyl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-4-[methyl(2-thienylsulfonyl)amino]butyramide Formula: C21H29N3O3S2 MolecularWeight: 435.60326

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)NC1=CC=CC=C1N2CCCCCC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CN(CCCC(=O)NC1=CC=CC=C1N2CCCCCC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H29N3O3S2/c1-23(29(26,27)21-13-9-17-28-21)14-8-12-20(25)22-18-10-4-5-11-19(18)24-15-6-2-3-7-16-24/h4-5,9-11,13,17H,2-3,6-8,12,14-16H2,1H3,(H,22,25)