phenyl 3-[cyclohexyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate

Systemtic Name: phenyl 3-[cyclohexyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(2-methoxyethanoylamino)benzenesulfonate Openeye Name: phenyl 3-[cyclohexyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-cyclohexylamino]-4-[(2-methoxy-1-oxoethyl)amino]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-[cyclohexyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-[(2-methoxyacetyl)amino]benzenesulfonate Traditional Name: 3-[[(Z)-N'-carbomethoxyamidino]-cyclohexyl-amino]-4-[(2-methoxyacetyl)amino]benzenesulfonic acid phenyl ester Formula: C24H30N4O7S MolecularWeight: 518.5826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N(C3CCCCC3)C(=NC(=O)OC)N

Isomeric SMILES

COCC(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N(C3CCCCC3)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C24H30N4O7S/c1-33-16-22(29)26-20-14-13-19(36(31,32)35-18-11-7-4-8-12-18)15-21(20)28(17-9-5-3-6-10-17)23(25)27-24(30)34-2/h4,7-8,11-15,17H,3,5-6,9-10,16H2,1-2H3,(H,26,29)(H2,25,27,30)