N-[4-[1,2-bis(oxidanyl)propyl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-[1,2-bis(oxidanyl)propyl]phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide Openeye Name: N-carbamimidoyl-N-[4-(1,2-dihydroxypropyl)phenoxy]-3-methylsulfonyl-benzamide CAS Name: N-carbamimidoyl-N-[4-(1,2-dihydroxypropyl)phenoxy]-3-methylsulfonylbenzamide IUPAC Name: N-carbamimidoyl-N-[4-(1,2-dihydroxypropyl)phenoxy]-3-methylsulfonylbenzamide Traditional Name: N-amidino-N-[4-(1,2-dihydroxypropyl)phenoxy]-3-mesyl-benzamide Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N)O)O

Isomeric SMILES

CC(C(C1=CC=C(C=C1)ON(C(=O)C2=CC(=CC=C2)S(=O)(=O)C)C(=N)N)O)O

InChI

InChI=1S/C18H21N3O6S/c1-11(22)16(23)12-6-8-14(9-7-12)27-21(18(19)20)17(24)13-4-3-5-15(10-13)28(2,25)26/h3-11,16,22-23H,1-2H3,(H3,19,20)