N-[bis(4-dimethylaminophenyl)methylidene]-2-[(4-fluorophenyl)sulfonylamino]benzamide hydrate hydrochloride

Systemtic Name: N-[bis(4-dimethylaminophenyl)methylidene]-2-[(4-fluorophenyl)sulfonylamino]benzamide hydrate hydrochloride Openeye Name: N-[bis(4-dimethylaminophenyl)methylene]-2-[(4-fluorophenyl)sulfonylamino]benzamide hydrate hydrochloride CAS Name: N-[bis(4-dimethylaminophenyl)methylidene]-2-[(4-fluorophenyl)sulfonylamino]benzamide hydrate hydrochloride IUPAC Name: N-[bis(4-dimethylaminophenyl)methylidene]-2-[(4-fluorophenyl)sulfonylamino]benzamide hydrate hydrochloride Traditional Name: N-[bis(4-dimethylaminophenyl)methylene]-2-[(4-fluorophenyl)sulfonylamino]benzamide hydrate hydrochloride Formula: C30H32ClFN4O4S MolecularWeight: 599.115883

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)N(C)C.O.Cl

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=NC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)N(C)C.O.Cl

InChI

InChI=1S/C30H29FN4O3S.ClH.H2O/c1-34(2)24-15-9-21(10-16-24)29(22-11-17-25(18-12-22)35(3)4)32-30(36)27-7-5-6-8-28(27)33-39(37,38)26-19-13-23(31)14-20-26;;/h5-20,33H,1-4H3;1H;1H2