4-chloranyl-N-[3,3-dimethyl-1-[(E)-[(pyridin-3-ylamino)-(sulfamoylamino)methylidene]amino]butyl]benzamide

Systemtic Name: 4-chloranyl-N-[3,3-dimethyl-1-[(E)-[(pyridin-3-ylamino)-(sulfamoylamino)methylidene]amino]butyl]benzamide Openeye Name: 4-chloro-N-[3,3-dimethyl-1-[(E)-[(3-pyridylamino)-(sulfamoylamino)methylene]amino]butyl]benzamide CAS Name: 4-chloro-N-[3,3-dimethyl-1-[(E)-[(3-pyridinylamino)-(sulfamoylamino)methylidene]amino]butyl]benzamide IUPAC Name: 4-chloro-N-[3,3-dimethyl-1-[(E)-[(pyridin-3-ylamino)-(sulfamoylamino)methylidene]amino]butyl]benzamide Traditional Name: 4-chloro-N-[3,3-dimethyl-1-[(E)-[(3-pyridylamino)-(sulfamoylamino)methylene]amino]butyl]benzamide Formula: C19H25ClN6O3S MolecularWeight: 452.9582

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(NC(=O)C1=CC=C(C=C1)Cl)N=C(NC2=CN=CC=C2)NS(=O)(=O)N

Isomeric SMILES

CC(C)(C)CC(NC(=O)C1=CC=C(C=C1)Cl)/N=C(\NC2=CN=CC=C2)/NS(=O)(=O)N

InChI

InChI=1S/C19H25ClN6O3S/c1-19(2,3)11-16(24-17(27)13-6-8-14(20)9-7-13)25-18(26-30(21,28)29)23-15-5-4-10-22-12-15/h4-10,12,16H,11H2,1-3H3,(H,24,27)(H2,21,28,29)(H2,23,25,26)