methyl 3-carbamimidoyl-3-isoindol-2-yl-2-sulfonyl-piperazine-1-carboxylate

Systemtic Name: methyl 3-carbamimidoyl-3-isoindol-2-yl-2-sulfonyl-piperazine-1-carboxylate Openeye Name: methyl 3-carbamimidoyl-3-isoindol-2-yl-2-sulfonyl-piperazine-1-carboxylate CAS Name: 3-carbamimidoyl-3-(2-isoindolyl)-2-sulfonyl-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 3-carbamimidoyl-3-isoindol-2-yl-2-sulfonylpiperazine-1-carboxylate Traditional Name: 3-amidino-3-isoindol-2-yl-2-sulfonyl-piperazine-1-carboxylic acid methyl ester Formula: C15H17N5O4S MolecularWeight: 363.39158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCNC(C1=S(=O)=O)(C(=N)N)N2C=C3C=CC=CC3=C2

Isomeric SMILES

COC(=O)N1CCNC(C1=S(=O)=O)(C(=N)N)N2C=C3C=CC=CC3=C2

InChI

InChI=1S/C15H17N5O4S/c1-24-14(21)20-7-6-18-15(12(16)17,13(20)25(22)23)19-8-10-4-2-3-5-11(10)9-19/h2-5,8-9,18H,6-7H2,1H3,(H3,16,17)