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

Systemtic Name: N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Openeye Name: N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide CAS Name: N-[2-methoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide IUPAC Name: N-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Traditional Name: N-[2-methoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S2/c1-24-10-12-25(13-11-24)31(27,28)17-8-9-19(29-2)18(15-17)23-22(26)21-14-16-6-4-3-5-7-20(16)30-21/h8-9,14-15H,3-7,10-13H2,1-2H3,(H,23,26)