3-[6-[hydroxymethyl(2-oxidanylideneethyl)sulfamoyl]-1,7-dimethyl-5-pyrrolidin-1-yl-8-sulfanylidene-5H-naphthalen-2-yl]piperidine-1-carboximidamide

Systemtic Name: 3-[6-[hydroxymethyl(2-oxidanylideneethyl)sulfamoyl]-1,7-dimethyl-5-pyrrolidin-1-yl-8-sulfanylidene-5H-naphthalen-2-yl]piperidine-1-carboximidamide Openeye Name: 3-[6-[hydroxymethyl(2-oxoethyl)sulfamoyl]-1,7-dimethyl-5-pyrrolidin-1-yl-8-thioxo-5H-naphthalen-2-yl]piperidine-1-carboxamidine CAS Name: 3-[6-[hydroxymethyl(2-oxoethyl)sulfamoyl]-1,7-dimethyl-5-(1-pyrrolidinyl)-8-sulfanylidene-5H-naphthalen-2-yl]-1-piperidinecarboximidamide IUPAC Name: 3-[6-[hydroxymethyl(2-oxoethyl)sulfamoyl]-1,7-dimethyl-5-pyrrolidin-1-yl-8-sulfanylidene-5H-naphthalen-2-yl]piperidine-1-carboximidamide Traditional Name: 3-[6-[2-ketoethyl(methylol)sulfamoyl]-1,7-dimethyl-5-pyrrolidino-8-thioxo-5H-naphthalen-2-yl]piperidine-1-carboxamidine Formula: C25H35N5O4S2 MolecularWeight: 533.7065

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=S)C(=C(C2N3CCCC3)S(=O)(=O)N(CC=O)CO)C)C4CCCN(C4)C(=N)N

Isomeric SMILES

CC1=C(C=CC2=C1C(=S)C(=C(C2N3CCCC3)S(=O)(=O)N(CC=O)CO)C)C4CCCN(C4)C(=N)N

InChI

InChI=1S/C25H35N5O4S2/c1-16-19(18-6-5-11-29(14-18)25(26)27)7-8-20-21(16)23(35)17(2)24(22(20)28-9-3-4-10-28)36(33,34)30(15-32)12-13-31/h7-8,13,18,22,32H,3-6,9-12,14-15H2,1-2H3,(H3,26,27)