8-chloranyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2,3-dihydro-1-benzazepine-4-carbonitrile

Systemtic Name: 8-chloranyl-1-(4-methylphenyl)sulfonyl-5-oxidanyl-2,3-dihydro-1-benzazepine-4-carbonitrile Openeye Name: 8-chloro-5-hydroxy-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carbonitrile CAS Name: 8-chloro-5-hydroxy-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carbonitrile IUPAC Name: 8-chloro-5-hydroxy-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepine-4-carbonitrile Traditional Name: 8-chloro-5-hydroxy-1-tosyl-2,3-dihydro-1-benzazepine-4-carbonitrile Formula: C18H15ClN2O3S MolecularWeight: 374.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C(C3=C2C=C(C=C3)Cl)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=C(C3=C2C=C(C=C3)Cl)O)C#N

InChI

InChI=1S/C18H15ClN2O3S/c1-12-2-5-15(6-3-12)25(23,24)21-9-8-13(11-20)18(22)16-7-4-14(19)10-17(16)21/h2-7,10,22H,8-9H2,1H3