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

Systemtic Name: [4-(3-methylbutoxy)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (4-isopentyloxyphenyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(3-methylbutoxy)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(3-methylbutoxy)phenyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (4-isoamoxyphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C24H32N2O4S MolecularWeight: 444.58688

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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)OCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2O4S/c1-19(2)13-18-30-22-9-7-21(8-10-22)24(27)25-14-4-15-26(17-16-25)31(28,29)23-11-5-20(3)6-12-23/h5-12,19H,4,13-18H2,1-3H3