N-[bis(azanyl)methylidene]-4-[1-(3-cyanophenyl)carbonylpiperidin-4-yl]-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-[1-(3-cyanophenyl)carbonylpiperidin-4-yl]-3-methylsulfonyl-benzamide Openeye Name: 4-[1-(3-cyanobenzoyl)-4-piperidyl]-N-(diaminomethylene)-3-methylsulfonyl-benzamide CAS Name: 4-[1-[(3-cyanophenyl)-oxomethyl]-4-piperidinyl]-N-(diaminomethylidene)-3-methylsulfonylbenzamide IUPAC Name: 4-[1-(3-cyanobenzoyl)piperidin-4-yl]-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: 4-[1-(3-cyanobenzoyl)-4-piperidyl]-N-(diaminomethylene)-3-mesyl-benzamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)C2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)C2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H23N5O4S/c1-32(30,31)19-12-16(20(28)26-22(24)25)5-6-18(19)15-7-9-27(10-8-15)21(29)17-4-2-3-14(11-17)13-23/h2-6,11-12,15H,7-10H2,1H3,(H4,24,25,26,28)