[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-methyl-3-(1-piperidylsulfonyl)phenyl]methanone CAS Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: [4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: (4-methyl-3-piperidinosulfonyl-phenyl)-(4-p-anisyl-1,4-diazepan-1-yl)methanone Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)CC3=CC=C(C=C3)OC)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C26H35N3O4S/c1-21-7-10-23(19-25(21)34(31,32)29-15-4-3-5-16-29)26(30)28-14-6-13-27(17-18-28)20-22-8-11-24(33-2)12-9-22/h7-12,19H,3-6,13-18,20H2,1-2H3