N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-5-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OC

InChI

InChI=1S/C22H29N3O4S2/c1-15-4-7-20-16(12-15)13-21(30-20)22(26)23-18-14-17(5-6-19(18)29-3)31(27,28)25-10-8-24(2)9-11-25/h5-6,13-15H,4,7-12H2,1-3H3,(H,23,26)