[2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Openeye Name: [2-[(4-dimethylaminophenyl)methyl-methyl-amino]-2-oxo-ethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate CAS Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoic acid [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methyl-methylamino]-2-oxoethyl] (2S)-2-[(4-acetamidophenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-[(4-acetamidophenyl)sulfonylamino]propionic acid [2-[[4-(dimethylamino)benzyl]-methyl-amino]-2-keto-ethyl] ester Formula: C23H30N4O6S MolecularWeight: 490.5725

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)N(C)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N(C)CC1=CC=C(C=C1)N(C)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C23H30N4O6S/c1-16(25-34(31,32)21-12-8-19(9-13-21)24-17(2)28)23(30)33-15-22(29)27(5)14-18-6-10-20(11-7-18)26(3)4/h6-13,16,25H,14-15H2,1-5H3,(H,24,28)/t16-/m0/s1