methyl 2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ylsulfonyl)benzoate

Systemtic Name: methyl 2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ylsulfonyl)benzoate Openeye Name: methyl 2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ylsulfonyl)benzoate CAS Name: 2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ylsulfonyl)benzoic acid methyl ester IUPAC Name: methyl 2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ylsulfonyl)benzoate Traditional Name: 2-(1,2,3,5-tetrahydro-1,4-benzodiazepin-4-ylsulfonyl)benzoic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCNC3=CC=CC=C3C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCNC3=CC=CC=C3C2

InChI

InChI=1S/C17H18N2O4S/c1-23-17(20)14-7-3-5-9-16(14)24(21,22)19-11-10-18-15-8-4-2-6-13(15)12-19/h2-9,18H,10-12H2,1H3