3-oxidanylpropyl 3-[(7-carbamimidoylnaphthalen-1-yl)carbamoyl]benzenesulfonate

Systemtic Name: 3-oxidanylpropyl 3-[(7-carbamimidoylnaphthalen-1-yl)carbamoyl]benzenesulfonate Openeye Name: 3-hydroxypropyl 3-[(7-carbamimidoyl-1-naphthyl)carbamoyl]benzenesulfonate CAS Name: 3-[[(7-carbamimidoyl-1-naphthalenyl)amino]-oxomethyl]benzenesulfonic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 3-[(7-carbamimidoylnaphthalen-1-yl)carbamoyl]benzenesulfonate Traditional Name: 3-[(7-amidino-1-naphthyl)carbamoyl]benzenesulfonic acid 3-hydroxypropyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2)C(=N)N)C(=C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)OCCCO

Isomeric SMILES

C1=CC2=C(C=C(C=C2)C(=N)N)C(=C1)NC(=O)C3=CC(=CC=C3)S(=O)(=O)OCCCO

InChI

InChI=1S/C21H21N3O5S/c22-20(23)15-9-8-14-4-2-7-19(18(14)13-15)24-21(26)16-5-1-6-17(12-16)30(27,28)29-11-3-10-25/h1-2,4-9,12-13,25H,3,10-11H2,(H3,22,23)(H,24,26)