2-[(E)-4-[6-[hydroxymethyl(2-oxidanylideneethyl)sulfamoyl]-7-methyl-5-pyrrolidin-1-yl-8-sulfanylidene-5H-naphthalen-1-yl]but-2-enyl]guanidine

Systemtic Name: 2-[(E)-4-[6-[hydroxymethyl(2-oxidanylideneethyl)sulfamoyl]-7-methyl-5-pyrrolidin-1-yl-8-sulfanylidene-5H-naphthalen-1-yl]but-2-enyl]guanidine Openeye Name: 2-[(E)-4-[6-[hydroxymethyl(2-oxoethyl)sulfamoyl]-7-methyl-5-pyrrolidin-1-yl-8-thioxo-5H-naphthalen-1-yl]but-2-enyl]guanidine CAS Name: 2-[(E)-4-[6-[hydroxymethyl(2-oxoethyl)sulfamoyl]-7-methyl-5-(1-pyrrolidinyl)-8-sulfanylidene-5H-naphthalen-1-yl]but-2-enyl]guanidine IUPAC Name: 2-[(E)-4-[6-[hydroxymethyl(2-oxoethyl)sulfamoyl]-7-methyl-5-pyrrolidin-1-yl-8-sulfanylidene-5H-naphthalen-1-yl]but-2-enyl]guanidine Traditional Name: 2-[(E)-4-[6-[2-ketoethyl(methylol)sulfamoyl]-7-methyl-5-pyrrolidino-8-thioxo-5H-naphthalen-1-yl]but-2-enyl]guanidine Formula: C23H31N5O4S2 MolecularWeight: 505.65334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(C1=S)C(=CC=C2)CC=CCN=C(N)N)N3CCCC3)S(=O)(=O)N(CC=O)CO

Isomeric SMILES

CC1=C(C(C2=C(C1=S)C(=CC=C2)C/C=C/CN=C(N)N)N3CCCC3)S(=O)(=O)N(CC=O)CO

InChI

InChI=1S/C23H31N5O4S2/c1-16-21(33)19-17(7-2-3-10-26-23(24)25)8-6-9-18(19)20(27-11-4-5-12-27)22(16)34(31,32)28(15-30)13-14-29/h2-3,6,8-9,14,20,30H,4-5,7,10-13,15H2,1H3,(H4,24,25,26)/b3-2+