[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-oxidanylnaphthalen-2-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-oxidanylnaphthalen-2-yl)methanone Openeye Name: (3-hydroxy-2-naphthyl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-hydroxy-2-naphthalenyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3-hydroxynaphthalen-2-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3-hydroxy-2-naphthyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H24N2O4S MolecularWeight: 424.51266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3O

InChI

InChI=1S/C23H24N2O4S/c1-17-7-9-20(10-8-17)30(28,29)25-12-4-11-24(13-14-25)23(27)21-15-18-5-2-3-6-19(18)16-22(21)26/h2-3,5-10,15-16,26H,4,11-14H2,1H3