4-(2,2-diphenylethanoyl)-1-(6-methoxynaphthalen-2-yl)sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-(2,2-diphenylethanoyl)-1-(6-methoxynaphthalen-2-yl)sulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-(2,2-diphenylacetyl)-1-[(6-methoxy-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid CAS Name: 1-[(6-methoxy-2-naphthalenyl)sulfonyl]-4-(1-oxo-2,2-diphenylethyl)-2-piperazinecarboxylic acid IUPAC Name: 4-(2,2-diphenylacetyl)-1-(6-methoxynaphthalen-2-yl)sulfonylpiperazine-2-carboxylic acid Traditional Name: 4-(2,2-diphenylacetyl)-1-[(6-methoxy-2-naphthyl)sulfonyl]piperazine-2-carboxylic acid Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3C(=O)O)C(=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H28N2O6S/c1-38-25-14-12-24-19-26(15-13-23(24)18-25)39(36,37)32-17-16-31(20-27(32)30(34)35)29(33)28(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,18-19,27-28H,16-17,20H2,1H3,(H,34,35)