N-[4-(2-azanylethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[4-(2-azanylethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide Openeye Name: N-[4-(2-aminoethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonyl-benzamide CAS Name: N-[4-(2-aminoethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide IUPAC Name: N-[4-(2-aminoethyl)phenoxy]-N-carbamimidoyl-3-methylsulfonylbenzamide Traditional Name: N-amidino-N-[4-(2-aminoethyl)phenoxy]-3-mesyl-benzamide Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)CCN

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)N(C(=N)N)OC2=CC=C(C=C2)CCN

InChI

InChI=1S/C17H20N4O4S/c1-26(23,24)15-4-2-3-13(11-15)16(22)21(17(19)20)25-14-7-5-12(6-8-14)9-10-18/h2-8,11H,9-10,18H2,1H3,(H3,19,20)