N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-3-[2-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]propanamide hydrochloride

Systemtic Name: N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-3-[2-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]propanamide hydrochloride Openeye Name: N-(1-carbamimidoyl-3-piperidyl)-N-methyl-3-[2-(1-naphthylsulfonylamino)-1H-indol-3-yl]propanamide hydrochloride CAS Name: N-(1-carbamimidoyl-3-piperidinyl)-N-methyl-3-[2-(1-naphthalenylsulfonylamino)-1H-indol-3-yl]propanamide hydrochloride IUPAC Name: N-(1-carbamimidoylpiperidin-3-yl)-N-methyl-3-[2-(naphthalen-1-ylsulfonylamino)-1H-indol-3-yl]propanamide hydrochloride Traditional Name: N-(1-amidino-3-piperidyl)-N-methyl-3-[2-(1-naphthylsulfonylamino)-1H-indol-3-yl]propionamide hydrochloride Formula: C28H33ClN6O3S MolecularWeight: 569.11802

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCN(C1)C(=N)N)C(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl

Isomeric SMILES

CN(C1CCCN(C1)C(=N)N)C(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC=CC5=CC=CC=C54.Cl

InChI

InChI=1S/C28H32N6O3S.ClH/c1-33(20-10-7-17-34(18-20)28(29)30)26(35)16-15-23-22-12-4-5-13-24(22)31-27(23)32-38(36,37)25-14-6-9-19-8-2-3-11-21(19)25;/h2-6,8-9,11-14,20,31-32H,7,10,15-18H2,1H3,(H3,29,30);1H