N-butyl-N-carbamimidoyl-3-methylsulfonyl-benzamide hydrochloride

Systemtic Name: N-butyl-N-carbamimidoyl-3-methylsulfonyl-benzamide hydrochloride Openeye Name: N-butyl-N-carbamimidoyl-3-methylsulfonyl-benzamide hydrochloride CAS Name: N-butyl-N-carbamimidoyl-3-methylsulfonylbenzamide hydrochloride IUPAC Name: N-butyl-N-carbamimidoyl-3-methylsulfonylbenzamide hydrochloride Traditional Name: N-amidino-N-butyl-3-mesyl-benzamide hydrochloride Formula: C13H20ClN3O3S MolecularWeight: 333.8342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=CC(=CC=C1)S(=O)(=O)C)C(=N)N.Cl

Isomeric SMILES

CCCCN(C(=O)C1=CC(=CC=C1)S(=O)(=O)C)C(=N)N.Cl

InChI

InChI=1S/C13H19N3O3S.ClH/c1-3-4-8-16(13(14)15)12(17)10-6-5-7-11(9-10)20(2,18)19;/h5-7,9H,3-4,8H2,1-2H3,(H3,14,15);1H