N-(2-methoxyphenyl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide

Systemtic Name: N-(2-methoxyphenyl)-3-[4-(phenylmethyl)sulfonylpiperazin-1-yl]propanamide Openeye Name: 3-(4-benzylsulfonylpiperazin-1-yl)-N-(2-methoxyphenyl)propanamide CAS Name: N-(2-methoxyphenyl)-3-[4-(phenylmethyl)sulfonyl-1-piperazinyl]propanamide IUPAC Name: 3-(4-benzylsulfonylpiperazin-1-yl)-N-(2-methoxyphenyl)propanamide Traditional Name: 3-(4-benzylsulfonylpiperazino)-N-(2-methoxyphenyl)propionamide Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-28-20-10-6-5-9-19(20)22-21(25)11-12-23-13-15-24(16-14-23)29(26,27)17-18-7-3-2-4-8-18/h2-10H,11-17H2,1H3,(H,22,25)