5-chloranyl-N-(4-methoxy-3-piperazin-1-yl-phenyl)-2-methyl-1-benzothiophene-3-sulfonamide

Systemtic Name: 5-chloranyl-N-(4-methoxy-3-piperazin-1-yl-phenyl)-2-methyl-1-benzothiophene-3-sulfonamide Openeye Name: 5-chloro-N-(4-methoxy-3-piperazin-1-yl-phenyl)-2-methyl-benzothiophene-3-sulfonamide CAS Name: 5-chloro-N-[4-methoxy-3-(1-piperazinyl)phenyl]-2-methyl-1-benzothiophene-3-sulfonamide IUPAC Name: 5-chloro-N-(4-methoxy-3-piperazin-1-ylphenyl)-2-methyl-1-benzothiophene-3-sulfonamide Traditional Name: 5-chloro-N-(4-methoxy-3-piperazino-phenyl)-2-methyl-benzothiophene-3-sulfonamide Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4

InChI

InChI=1S/C20H22ClN3O3S2/c1-13-20(16-11-14(21)3-6-19(16)28-13)29(25,26)23-15-4-5-18(27-2)17(12-15)24-9-7-22-8-10-24/h3-6,11-12,22-23H,7-10H2,1-2H3