1-(4-chloranyl-3-nitro-phenyl)sulfonyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine

Systemtic Name: 1-(4-chloranyl-3-nitro-phenyl)sulfonyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine Openeye Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine CAS Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfonyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine Traditional Name: 1-(4-chloro-3-nitro-phenyl)sulfonyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine Formula: C17H17ClN2O5S MolecularWeight: 396.84528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C1

Isomeric SMILES

COC1=CC2=C(CCCCN2S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=C1

InChI

InChI=1S/C17H17ClN2O5S/c1-25-13-6-5-12-4-2-3-9-19(16(12)10-13)26(23,24)14-7-8-15(18)17(11-14)20(21)22/h5-8,10-11H,2-4,9H2,1H3