methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-benzoate CAS Name: 3-[[4-[(4-methoxyphenyl)sulfonyl-methylamino]-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-methoxyphenyl)sulfonyl-methylamino]butanoylamino]-4-methylbenzoate Traditional Name: 3-[4-[(4-methoxyphenyl)sulfonyl-methyl-amino]butanoylamino]-4-methyl-benzoic acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CCCN(C)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O6S/c1-15-7-8-16(21(25)29-4)14-19(15)22-20(24)6-5-13-23(2)30(26,27)18-11-9-17(28-3)10-12-18/h7-12,14H,5-6,13H2,1-4H3,(H,22,24)