4-methyl-N-(8-oxidanyl-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)benzenesulfonamide

Systemtic Name: 4-methyl-N-(8-oxidanyl-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)benzenesulfonamide Openeye Name: N-(8-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)-4-methyl-benzenesulfonamide CAS Name: N-(8-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)-4-methylbenzenesulfonamide IUPAC Name: N-(8-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)-4-methylbenzenesulfonamide Traditional Name: N-(8-hydroxy-7,8,9,10-tetrahydrobenzo[a]pyren-7-yl)-4-methyl-benzenesulfonamide Formula: C27H23NO3S MolecularWeight: 441.54142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2C(CCC3=C2C=C4C=CC5=C6C4=C3C=CC6=CC=C5)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2C(CCC3=C2C=C4C=CC5=C6C4=C3C=CC6=CC=C5)O

InChI

InChI=1S/C27H23NO3S/c1-16-5-10-20(11-6-16)32(30,31)28-27-23-15-19-8-7-17-3-2-4-18-9-12-22(26(19)25(17)18)21(23)13-14-24(27)29/h2-12,15,24,27-29H,13-14H2,1H3