[4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

Systemtic Name: [4-(2-bromanyl-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Openeye Name: [4-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone CAS Name: [4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone IUPAC Name: [4-(2-bromo-4,5-dimethoxyphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-methylphenyl)methanone Traditional Name: [4-(2-bromo-4,5-dimethoxy-phenyl)sulfonyl-1,4-diazepan-1-yl]-(m-tolyl)methanone Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-15-6-4-7-16(12-15)21(25)23-8-5-9-24(11-10-23)30(26,27)20-14-19(29-3)18(28-2)13-17(20)22/h4,6-7,12-14H,5,8-11H2,1-3H3