2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl-methyl-amino]-1-[4-(2-naphthylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl-methylamino]-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[methyl(veratryl)amino]-1-[4-(2-naphthylsulfonyl)piperazino]ethanone Formula: C26H31N3O5S MolecularWeight: 497.60644

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C26H31N3O5S/c1-27(18-20-8-11-24(33-2)25(16-20)34-3)19-26(30)28-12-14-29(15-13-28)35(31,32)23-10-9-21-6-4-5-7-22(21)17-23/h4-11,16-17H,12-15,18-19H2,1-3H3