N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-methylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methylsulfonylpiperidine-3-carboxamide Traditional Name: 1-mesyl-N-[4-(4-methylpiperazino)sulfonylphenyl]nipecotamide Formula: C18H28N4O5S2 MolecularWeight: 444.56872

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3CCCN(C3)S(=O)(=O)C

InChI

InChI=1S/C18H28N4O5S2/c1-20-10-12-21(13-11-20)29(26,27)17-7-5-16(6-8-17)19-18(23)15-4-3-9-22(14-15)28(2,24)25/h5-8,15H,3-4,9-14H2,1-2H3,(H,19,23)