N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1-methylsulfonyl-piperidine-4-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazinyl)ethyl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazino)ethyl]-1-mesyl-isonipecotamide Formula: C27H39N5O3S MolecularWeight: 513.69526

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2CCN(CC2)S(=O)(=O)C)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H39N5O3S/c1-29(2)24-11-9-22(10-12-24)26(31-19-17-30(18-20-31)25-7-5-4-6-8-25)21-28-27(33)23-13-15-32(16-14-23)36(3,34)35/h4-12,23,26H,13-21H2,1-3H3,(H,28,33)