[4-[(2S)-butan-2-yl]phenyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate

Systemtic Name: [4-[(2S)-butan-2-yl]phenyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]ethanoate Openeye Name: [4-[(1S)-1-methylpropyl]phenyl] 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetate CAS Name: 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetic acid [4-[(2S)-butan-2-yl]phenyl] ester IUPAC Name: [4-[(2S)-butan-2-yl]phenyl] 2-[(4-acetamidophenyl)sulfonyl-methylamino]acetate Traditional Name: 2-[(4-acetamidophenyl)sulfonyl-methyl-amino]acetic acid [4-[(1S)-1-methylpropyl]phenyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)OC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H26N2O5S/c1-5-15(2)17-6-10-19(11-7-17)28-21(25)14-23(4)29(26,27)20-12-8-18(9-13-20)22-16(3)24/h6-13,15H,5,14H2,1-4H3,(H,22,24)/t15-/m0/s1