1-(4-chloranyl-3-nitro-phenyl)sulfonyl-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-6-methoxy-2,3,4,5-tetrahydro-1-benzazepine Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CCCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC2=C1CCCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN2O5S/c1-25-17-7-4-6-15-13(17)5-2-3-10-19(15)26(23,24)12-8-9-14(18)16(11-12)20(21)22/h4,6-9,11H,2-3,5,10H2,1H3