N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Traditional Name: N-[4-(4-methylpiperazino)sulfonylphenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)CCCCC4

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(S3)CCCCC4

InChI

InChI=1S/C21H27N3O3S2/c1-23-11-13-24(14-12-23)29(26,27)18-9-7-17(8-10-18)22-21(25)20-15-16-5-3-2-4-6-19(16)28-20/h7-10,15H,2-6,11-14H2,1H3,(H,22,25)