3-(4-aminophenyl)sulfonyl-1-ethanoyl-4-[(2-ethylphenyl)methoxy]-2-methyl-piperazine-2-carboxylic acid

Systemtic Name: 3-(4-aminophenyl)sulfonyl-1-ethanoyl-4-[(2-ethylphenyl)methoxy]-2-methyl-piperazine-2-carboxylic acid Openeye Name: 1-acetyl-3-(4-aminophenyl)sulfonyl-4-[(2-ethylphenyl)methoxy]-2-methyl-piperazine-2-carboxylic acid CAS Name: 1-acetyl-3-(4-aminophenyl)sulfonyl-4-[(2-ethylphenyl)methoxy]-2-methyl-2-piperazinecarboxylic acid IUPAC Name: 1-acetyl-3-(4-aminophenyl)sulfonyl-4-[(2-ethylphenyl)methoxy]-2-methylpiperazine-2-carboxylic acid Traditional Name: 1-acetyl-4-(2-ethylbenzyl)oxy-2-methyl-3-sulfanilyl-piperazine-2-carboxylic acid Formula: C23H29N3O6S MolecularWeight: 475.55786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1CON2CCN(C(C2S(=O)(=O)C3=CC=C(C=C3)N)(C)C(=O)O)C(=O)C

Isomeric SMILES

CCC1=CC=CC=C1CON2CCN(C(C2S(=O)(=O)C3=CC=C(C=C3)N)(C)C(=O)O)C(=O)C

InChI

InChI=1S/C23H29N3O6S/c1-4-17-7-5-6-8-18(17)15-32-26-14-13-25(16(2)27)23(3,22(28)29)21(26)33(30,31)20-11-9-19(24)10-12-20/h5-12,21H,4,13-15,24H2,1-3H3,(H,28,29)