1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonitrile

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonitrile Openeye Name: 1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonitrile CAS Name: 1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonitrile IUPAC Name: 1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonitrile Traditional Name: 1-(3-nitrophenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine-8-carbonitrile Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C2=C(C1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C2=C(C1)C=CC(=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c18-12-13-7-8-14-4-1-2-9-19(17(14)10-13)25(23,24)16-6-3-5-15(11-16)20(21)22/h3,5-8,10-11H,1-2,4,9H2