(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Openeye Name: (2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)-[4-(1-naphthylmethyl)piperazin-1-yl]methanone CAS Name: [2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-[4-(1-naphthalenylmethyl)-1-piperazinyl]methanone IUPAC Name: (2-methyl-5-pyrrolidin-1-ylsulfonylphenyl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone Traditional Name: (2-methyl-5-pyrrolidinosulfonyl-phenyl)-[4-(1-naphthylmethyl)piperazino]methanone Formula: C27H31N3O3S MolecularWeight: 477.61834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H31N3O3S/c1-21-11-12-24(34(32,33)30-13-4-5-14-30)19-26(21)27(31)29-17-15-28(16-18-29)20-23-9-6-8-22-7-2-3-10-25(22)23/h2-3,6-12,19H,4-5,13-18,20H2,1H3