2-chloranyl-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide

Systemtic Name: 2-chloranyl-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide Openeye Name: 2-chloro-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide CAS Name: 2-chloro-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide IUPAC Name: 2-chloro-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide Traditional Name: 2-chloro-6-(4-nitrophenyl)pyrrolo[2,1-d][1,5]benzothiazepine 5,5-dioxide Formula: C18H11ClN2O4S MolecularWeight: 386.80894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C(=C1)C=C(S(=O)(=O)C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CN2C(=C1)C=C(S(=O)(=O)C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11ClN2O4S/c19-13-5-8-17-16(10-13)20-9-1-2-15(20)11-18(26(17,24)25)12-3-6-14(7-4-12)21(22)23/h1-11H