4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-N-(2-methylbenzimidazol-1-yl)benzamide hydrate

Systemtic Name: 4-chloranyl-3-[(E)-dimethylaminomethylideneamino]sulfonyl-N-(2-methylbenzimidazol-1-yl)benzamide hydrate Openeye Name: 4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-N-(2-methylbenzimidazol-1-yl)benzamide hydrate CAS Name: 4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonyl-N-(2-methyl-1-benzimidazolyl)benzamide hydrate IUPAC Name: 4-chloro-3-[(E)-dimethylaminomethylideneamino]sulfonyl-N-(2-methylbenzimidazol-1-yl)benzamide hydrate Traditional Name: 4-chloro-3-[(E)-dimethylaminomethyleneamino]sulfonyl-N-(2-methylbenzimidazol-1-yl)benzamide hydrate Formula: C18H20ClN5O4S MolecularWeight: 437.9005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)N=CN(C)C.O

Isomeric SMILES

CC1=NC2=CC=CC=C2N1NC(=O)C3=CC(=C(C=C3)Cl)S(=O)(=O)/N=C/N(C)C.O

InChI

InChI=1S/C18H18ClN5O3S.H2O/c1-12-21-15-6-4-5-7-16(15)24(12)22-18(25)13-8-9-14(19)17(10-13)28(26,27)20-11-23(2)3;/h4-11H,1-3H3,(H,22,25);1H2/b20-11+;