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

Systemtic Name: 5-chloranyl-N-[4-methoxy-3-[4-(phenylmethyl)piperazin-1-yl]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide Openeye Name: N-[3-(4-benzylpiperazin-1-yl)-4-methoxy-phenyl]-5-chloro-3-methyl-benzothiophene-2-sulfonamide CAS Name: 5-chloro-N-[4-methoxy-3-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-methyl-1-benzothiophene-2-sulfonamide IUPAC Name: N-[3-(4-benzylpiperazin-1-yl)-4-methoxyphenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide Traditional Name: N-[3-(4-benzylpiperazino)-4-methoxy-phenyl]-5-chloro-3-methyl-benzothiophene-2-sulfonamide Formula: C27H28ClN3O3S2 MolecularWeight: 542.11252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)NC3=CC(=C(C=C3)OC)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H28ClN3O3S2/c1-19-23-16-21(28)8-11-26(23)35-27(19)36(32,33)29-22-9-10-25(34-2)24(17-22)31-14-12-30(13-15-31)18-20-6-4-3-5-7-20/h3-11,16-17,29H,12-15,18H2,1-2H3