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

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzamide dihydrochloride Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-[4-(1-piperidyl)-1-piperidyl]benzamide dihydrochloride CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[4-(1-piperidinyl)-1-piperidinyl]benzamide dihydrochloride IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(4-piperidin-1-ylpiperidin-1-yl)benzamide dihydrochloride Traditional Name: N-(diaminomethylene)-3-mesyl-4-(4-piperidinopiperidino)benzamide dihydrochloride Formula: C19H31Cl2N5O3S MolecularWeight: 480.45214

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCC(CC2)N3CCCCC3.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCC(CC2)N3CCCCC3.Cl.Cl

InChI

InChI=1S/C19H29N5O3S.2ClH/c1-28(26,27)17-13-14(18(25)22-19(20)21)5-6-16(17)24-11-7-15(8-12-24)23-9-3-2-4-10-23;;/h5-6,13,15H,2-4,7-12H2,1H3,(H4,20,21,22,25);2*1H