N-[bis(azanyl)methylidene]-4-chloranyl-3-(3-phenylpropylsulfonyl)benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-4-chloranyl-3-(3-phenylpropylsulfonyl)benzamide hydrochloride Openeye Name: 4-chloro-N-(diaminomethylene)-3-(3-phenylpropylsulfonyl)benzamide hydrochloride CAS Name: 4-chloro-N-(diaminomethylidene)-3-(3-phenylpropylsulfonyl)benzamide hydrochloride IUPAC Name: 4-chloro-N-(diaminomethylidene)-3-(3-phenylpropylsulfonyl)benzamide hydrochloride Traditional Name: 4-chloro-N-(diaminomethylene)-3-(3-phenylpropylsulfonyl)benzamide hydrochloride Formula: C17H19Cl2N3O3S MolecularWeight: 416.32206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCS(=O)(=O)C2=C(C=CC(=C2)C(=O)N=C(N)N)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCS(=O)(=O)C2=C(C=CC(=C2)C(=O)N=C(N)N)Cl.Cl

InChI

InChI=1S/C17H18ClN3O3S.ClH/c18-14-9-8-13(16(22)21-17(19)20)11-15(14)25(23,24)10-4-7-12-5-2-1-3-6-12;/h1-3,5-6,8-9,11H,4,7,10H2,(H4,19,20,21,22);1H