N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-piperidin-1-yl-5-pyrrol-1-yl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-piperidin-1-yl-5-pyrrol-1-yl-benzamide Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-(1-piperidyl)-5-pyrrol-1-yl-benzamide CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(1-piperidinyl)-5-(1-pyrrolyl)benzamide IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-piperidin-1-yl-5-pyrrol-1-ylbenzamide Traditional Name: N-(diaminomethylene)-3-mesyl-4-piperidino-5-pyrrol-1-yl-benzamide Formula: C18H23N5O3S MolecularWeight: 389.47192

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1N2CCCCC2)N3C=CC=C3)C(=O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1N2CCCCC2)N3C=CC=C3)C(=O)N=C(N)N

InChI

InChI=1S/C18H23N5O3S/c1-27(25,26)15-12-13(17(24)21-18(19)20)11-14(22-7-5-6-8-22)16(15)23-9-3-2-4-10-23/h5-8,11-12H,2-4,9-10H2,1H3,(H4,19,20,21,24)