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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=C(S1)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4)Cl

Isomeric SMILES

CC1=C2C=C(C=CC2=C(S1)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCNCC4)Cl

InChI

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