methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazepane-2-carboxylate

Systemtic Name: methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazepane-2-carboxylate Openeye Name: methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazepane-2-carboxylate CAS Name: 1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazepane-2-carboxylic acid methyl ester IUPAC Name: methyl 1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazepane-2-carboxylate Traditional Name: 1,3-bis[(4-methoxyphenyl)sulfonyl]-1,3-diazepane-2-carboxylic acid methyl ester Formula: C21H26N2O8S2 MolecularWeight: 498.56974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCN(C2C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCCCN(C2C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O8S2/c1-29-16-6-10-18(11-7-16)32(25,26)22-14-4-5-15-23(20(22)21(24)31-3)33(27,28)19-12-8-17(30-2)9-13-19/h6-13,20H,4-5,14-15H2,1-3H3