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

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzamide dihydrochloride Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-4-(4-pyrrolidin-1-yl-1-piperidyl)benzamide dihydrochloride CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-4-[4-(1-pyrrolidinyl)-1-piperidinyl]benzamide dihydrochloride IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzamide dihydrochloride Traditional Name: N-(diaminomethylene)-3-mesyl-4-(4-pyrrolidinopiperidino)benzamide dihydrochloride Formula: C18H29Cl2N5O3S MolecularWeight: 466.42556

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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)N3CCCC3.Cl.Cl

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)N=C(N)N)N2CCC(CC2)N3CCCC3.Cl.Cl

InChI

InChI=1S/C18H27N5O3S.2ClH/c1-27(25,26)16-12-13(17(24)21-18(19)20)4-5-15(16)23-10-6-14(7-11-23)22-8-2-3-9-22;;/h4-5,12,14H,2-3,6-11H2,1H3,(H4,19,20,21,24);2*1H