1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]naphthalen-2-ol

Systemtic Name: 1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]naphthalen-2-ol Openeye Name: 1-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]naphthalen-2-ol CAS Name: 1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-naphthalenol IUPAC Name: 1-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]naphthalen-2-ol Traditional Name: 1-[(4-tosyl-1,4-diazepan-1-yl)methyl]-2-naphthol Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(C=CC4=CC=CC=C43)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(C=CC4=CC=CC=C43)O

InChI

InChI=1S/C23H26N2O3S/c1-18-7-10-20(11-8-18)29(27,28)25-14-4-13-24(15-16-25)17-22-21-6-3-2-5-19(21)9-12-23(22)26/h2-3,5-12,26H,4,13-17H2,1H3