N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-1-propylsulfonyl-nipecotamide Formula: C26H36N4O3S MolecularWeight: 484.65404

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H36N4O3S/c1-2-19-34(32,33)30-14-6-9-23(21-30)26(31)27-24-10-12-25(13-11-24)29-17-15-28(16-18-29)20-22-7-4-3-5-8-22/h3-5,7-8,10-13,23H,2,6,9,14-21H2,1H3,(H,27,31)