methyl 3-(1,4-diazepan-1-ylsulfonyl)-4-methyl-benzoate

Systemtic Name: methyl 3-(1,4-diazepan-1-ylsulfonyl)-4-methyl-benzoate Openeye Name: methyl 3-(1,4-diazepan-1-ylsulfonyl)-4-methyl-benzoate CAS Name: 3-(1,4-diazepan-1-ylsulfonyl)-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(1,4-diazepan-1-ylsulfonyl)-4-methylbenzoate Traditional Name: 3-(1,4-diazepan-1-ylsulfonyl)-4-methyl-benzoic acid methyl ester Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCNCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)S(=O)(=O)N2CCCNCC2

InChI

InChI=1S/C14H20N2O4S/c1-11-4-5-12(14(17)20-2)10-13(11)21(18,19)16-8-3-6-15-7-9-16/h4-5,10,15H,3,6-9H2,1-2H3