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

Systemtic Name: 1-butylsulfonyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]piperidine-4-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-butylsulfonyl-piperidine-4-carboxamide CAS Name: 1-butylsulfonyl-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-butylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-1-butylsulfonyl-isonipecotamide Formula: C27H38N4O3S MolecularWeight: 498.68062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H38N4O3S/c1-2-3-21-35(33,34)31-15-13-24(14-16-31)27(32)28-25-9-11-26(12-10-25)30-19-17-29(18-20-30)22-23-7-5-4-6-8-23/h4-12,24H,2-3,13-22H2,1H3,(H,28,32)