[2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone

Systemtic Name: [2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[2-methyl-5-[(2-methyl-1-piperidyl)sulfonyl]phenyl]methanone CAS Name: [2-methyl-5-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone Traditional Name: (4-benzylpiperazino)-[2-methyl-5-(2-methylpiperidino)sulfonyl-phenyl]methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O3S/c1-20-11-12-23(32(30,31)28-13-7-6-8-21(28)2)18-24(20)25(29)27-16-14-26(15-17-27)19-22-9-4-3-5-10-22/h3-5,9-12,18,21H,6-8,13-17,19H2,1-2H3