methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(phenylmethyl)sulfonyl-butanoate

Systemtic Name: methyl 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(phenylmethyl)sulfonyl-butanoate Openeye Name: methyl 4-benzylsulfonyl-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butanoate CAS Name: 2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-4-(phenylmethyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 4-benzylsulfonyl-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butanoate Traditional Name: 4-benzylsulfonyl-2-[isobutyl-(4-methoxyphenyl)sulfonyl-amino]butyric acid methyl ester Formula: C23H31NO7S2 MolecularWeight: 497.62474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C(CCS(=O)(=O)CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN(C(CCS(=O)(=O)CC1=CC=CC=C1)C(=O)OC)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C23H31NO7S2/c1-18(2)16-24(33(28,29)21-12-10-20(30-3)11-13-21)22(23(25)31-4)14-15-32(26,27)17-19-8-6-5-7-9-19/h5-13,18,22H,14-17H2,1-4H3