[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone Openeye Name: [4-(1-piperidylmethyl)phenyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1-piperidinylmethyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone Traditional Name: [4-(piperidinomethyl)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C25H33N3O3S MolecularWeight: 455.61282

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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)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCCC4

InChI

InChI=1S/C25H33N3O3S/c1-21-6-12-24(13-7-21)32(30,31)28-17-5-16-27(18-19-28)25(29)23-10-8-22(9-11-23)20-26-14-3-2-4-15-26/h6-13H,2-5,14-20H2,1H3