N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-chloranyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-chloranyl-4-methyl-benzenesulfonamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-chloro-4-methyl-benzenesulfonamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-chloro-4-methylbenzenesulfonamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-chloro-4-methylbenzenesulfonamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-chloro-4-methyl-benzenesulfonamide Formula: C19H25ClN2O2S2 MolecularWeight: 412.997

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CSC=C2)N3CCCCCC3)Cl

InChI

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