methyl 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate

Systemtic Name: methyl 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 3-[[4-(o-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 3-[[4-(2-methylbenzyl)-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O4S/c1-17-7-3-4-8-19(17)16-22-11-6-12-23(14-13-22)28(25,26)20-10-5-9-18(15-20)21(24)27-2/h3-5,7-10,15H,6,11-14,16H2,1-2H3