N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-chloranyl-2-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-chloranyl-2-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-chloro-2-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-chloro-2-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-2-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-chloro-2-methyl-benzenesulfonamide Formula: C19H25ClN2O2S2 MolecularWeight: 412.997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3

InChI

InChI=1S/C19H25ClN2O2S2/c1-15-17(20)7-6-8-19(15)26(23,24)21-13-18(16-9-12-25-14-16)22-10-4-2-3-5-11-22/h6-9,12,14,18,21H,2-5,10-11,13H2,1H3