1-(4-methoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane-2-carboxylic acid Openeye Name: 4-benzyl-1-(4-methoxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-(phenylmethyl)-1,4-diazepane-2-carboxylic acid IUPAC Name: 4-benzyl-1-(4-methoxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid Traditional Name: 4-benzyl-1-(4-methoxyphenyl)sulfonyl-1,4-diazepane-2-carboxylic acid Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S/c1-27-17-8-10-18(11-9-17)28(25,26)22-13-5-12-21(15-19(22)20(23)24)14-16-6-3-2-4-7-16/h2-4,6-11,19H,5,12-15H2,1H3,(H,23,24)