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

Systemtic Name: (3-methoxy-4-phenylmethoxy-phenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyloxy-3-methoxy-phenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-methoxy-4-phenylmethoxyphenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4-benzoxy-3-methoxy-phenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C27H30N2O5S MolecularWeight: 494.6025

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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)OCC4=CC=CC=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O5S/c1-21-9-12-24(13-10-21)35(31,32)29-16-6-15-28(17-18-29)27(30)23-11-14-25(26(19-23)33-2)34-20-22-7-4-3-5-8-22/h3-5,7-14,19H,6,15-18,20H2,1-2H3