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

Systemtic Name: 4-(4-acetamidopiperidin-1-yl)-N-[bis(azanyl)methylidene]-3-methylsulfonyl-benzamide Openeye Name: 4-(4-acetamido-1-piperidyl)-N-(diaminomethylene)-3-methylsulfonyl-benzamide CAS Name: 4-(4-acetamido-1-piperidinyl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide IUPAC Name: 4-(4-acetamidopiperidin-1-yl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: 4-(4-acetamidopiperidino)-N-(diaminomethylene)-3-mesyl-benzamide Formula: C16H23N5O4S MolecularWeight: 381.44992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CC(=O)NC1CCN(CC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C16H23N5O4S/c1-10(22)19-12-5-7-21(8-6-12)13-4-3-11(15(23)20-16(17)18)9-14(13)26(2,24)25/h3-4,9,12H,5-8H2,1-2H3,(H,19,22)(H4,17,18,20,23)