4-[[1-[(4-carbamimidoylphenyl)amino]-2-(propylsulfonylamino)ethyl]-sulfino-amino]-1,2-diethoxy-benzene

Systemtic Name: 4-[[1-[(4-carbamimidoylphenyl)amino]-2-(propylsulfonylamino)ethyl]-sulfino-amino]-1,2-diethoxy-benzene Openeye Name: 4-[[1-(4-carbamimidoylanilino)-2-(propylsulfonylamino)ethyl]-sulfino-amino]-1,2-diethoxy-benzene CAS Name: 4-[[1-(4-carbamimidoylanilino)-2-(propylsulfonylamino)ethyl]-sulfinoamino]-1,2-diethoxybenzene IUPAC Name: 4-[[1-(4-carbamimidoylanilino)-2-(propylsulfonylamino)ethyl]-sulfinoamino]-1,2-diethoxybenzene Traditional Name: 4-[[1-(4-amidinoanilino)-2-(propylsulfonylamino)ethyl]-sulfino-amino]-1,2-diethoxy-benzene Formula: C22H33N5O6S2 MolecularWeight: 527.65732

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCC(NC1=CC=C(C=C1)C(=N)N)N(C2=CC(=C(C=C2)OCC)OCC)S(=O)O

Isomeric SMILES

CCCS(=O)(=O)NCC(NC1=CC=C(C=C1)C(=N)N)N(C2=CC(=C(C=C2)OCC)OCC)S(=O)O

InChI

InChI=1S/C22H33N5O6S2/c1-4-13-35(30,31)25-15-21(26-17-9-7-16(8-10-17)22(23)24)27(34(28)29)18-11-12-19(32-5-2)20(14-18)33-6-3/h7-12,14,21,25-26H,4-6,13,15H2,1-3H3,(H3,23,24)(H,28,29)