(3-methoxy-4-methyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-methoxy-4-methyl-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3-methoxy-4-methyl-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methoxy-4-methylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methoxy-4-methylphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-methoxy-4-methyl-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-16-5-9-19(10-6-16)28(25,26)23-12-4-11-22(13-14-23)21(24)18-8-7-17(2)20(15-18)27-3/h5-10,15H,4,11-14H2,1-3H3