6-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Systemtic Name: 6-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Openeye Name: 6-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydrobenzothiophene-2-carboxamide CAS Name: 6-methyl-N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide IUPAC Name: 6-methyl-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-2,3-dihydro-1-benzothiophene-2-carboxamide Traditional Name: 6-methyl-N-[4-(4-methylpiperazino)sulfonylphenyl]-2,3-dihydrobenzothiophene-2-carboxamide Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CC(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C=C1

Isomeric SMILES

CC1=CC2=C(CC(S2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C=C1

InChI

InChI=1S/C21H25N3O3S2/c1-15-3-4-16-14-20(28-19(16)13-15)21(25)22-17-5-7-18(8-6-17)29(26,27)24-11-9-23(2)10-12-24/h3-8,13,20H,9-12,14H2,1-2H3,(H,22,25)