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

Systemtic Name: methyl 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Openeye Name: methyl 4-[[4-(p-tolylmethyl)-1,4-diazepan-1-yl]sulfonyl]benzoate CAS Name: 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]sulfonyl]benzoate Traditional Name: 4-[[4-(4-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=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O4S/c1-17-4-6-18(7-5-17)16-22-12-3-13-23(15-14-22)28(25,26)20-10-8-19(9-11-20)21(24)27-2/h4-11H,3,12-16H2,1-2H3