methyl 2-[[1-(3-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-2-yl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[1-(3-methoxyphenyl)sulfonyl-4-(phenylmethyl)piperazin-2-yl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-benzyl-1-(3-methoxyphenyl)sulfonyl-piperazine-2-carbonyl]amino]acetate CAS Name: 2-[[[1-(3-methoxyphenyl)sulfonyl-4-(phenylmethyl)-2-piperazinyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-benzyl-1-(3-methoxyphenyl)sulfonylpiperazine-2-carbonyl]amino]acetate Traditional Name: 2-[[4-benzyl-1-(3-methoxyphenyl)sulfonyl-piperazine-2-carbonyl]amino]acetic acid methyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2C(=O)NCC(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O6S/c1-30-18-9-6-10-19(13-18)32(28,29)25-12-11-24(15-17-7-4-3-5-8-17)16-20(25)22(27)23-14-21(26)31-2/h3-10,13,20H,11-12,14-16H2,1-2H3,(H,23,27)