N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloranyl-5-(methylsulfonylamino)benzamide

Systemtic Name: N-[[2-(2-azanyl-2-oxidanylidene-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloranyl-5-(methylsulfonylamino)benzamide Openeye Name: N-[[2-(2-amino-2-oxo-ethoxy)-4-carbamimidoyl-phenyl]methyl]-3-chloro-5-(methanesulfonamido)benzamide CAS Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-3-chloro-5-(methanesulfonamido)benzamide IUPAC Name: N-[[2-(2-amino-2-oxoethoxy)-4-carbamimidoylphenyl]methyl]-3-chloro-5-(methanesulfonamido)benzamide Traditional Name: N-[4-amidino-2-(2-amino-2-keto-ethoxy)benzyl]-3-chloro-5-(methanesulfonamido)benzamide Formula: C18H20ClN5O5S MolecularWeight: 453.8999

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC(=CC(=C1)C(=O)NCC2=C(C=C(C=C2)C(=N)N)OCC(=O)N)Cl

InChI

InChI=1S/C18H20ClN5O5S/c1-30(27,28)24-14-5-12(4-13(19)7-14)18(26)23-8-11-3-2-10(17(21)22)6-15(11)29-9-16(20)25/h2-7,24H,8-9H2,1H3,(H2,20,25)(H3,21,22)(H,23,26)