[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-[4-(3-pyridylmethoxy)phenyl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(3-pyridinylmethoxy)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(pyridin-3-ylmethoxy)phenyl]methanone Traditional Name: [4-(3-pyridylmethoxy)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H27N3O4S MolecularWeight: 465.56458

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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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O4S/c1-20-5-11-24(12-6-20)33(30,31)28-15-3-14-27(16-17-28)25(29)22-7-9-23(10-8-22)32-19-21-4-2-13-26-18-21/h2,4-13,18H,3,14-17,19H2,1H3