N-(4-carbamimidoylphenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carboxamide

Systemtic Name: N-(4-carbamimidoylphenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carboxamide Openeye Name: N-(4-carbamimidoylphenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carboxamide CAS Name: N-(4-carbamimidoylphenyl)-4-(4-propylphenyl)sulfonyl-1-piperazinecarboxamide IUPAC Name: N-(4-carbamimidoylphenyl)-4-(4-propylphenyl)sulfonylpiperazine-1-carboxamide Traditional Name: N-(4-amidinophenyl)-4-(4-propylphenyl)sulfonyl-piperazine-1-carboxamide Formula: C21H27N5O3S MolecularWeight: 429.53578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H27N5O3S/c1-2-3-16-4-10-19(11-5-16)30(28,29)26-14-12-25(13-15-26)21(27)24-18-8-6-17(7-9-18)20(22)23/h4-11H,2-3,12-15H2,1H3,(H3,22,23)(H,24,27)