N-[(4-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]indole-2-carboxamide hydrochloride

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]indole-2-carboxamide hydrochloride Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenyl-propanoyl]indole-2-carboxamide hydrochloride CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-1-oxo-3-phenylpropyl]-2-indolecarboxamide hydrochloride IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(ethylsulfonylamino)-3-phenylpropanoyl]indole-2-carboxamide hydrochloride Traditional Name: N-(4-amidinobenzyl)-1-[2-(esylamino)-3-phenyl-propanoyl]indole-2-carboxamide hydrochloride Formula: C28H30ClN5O4S MolecularWeight: 568.0869

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C=C2C(=O)NCC4=CC=C(C=C4)C(=N)N.Cl

Isomeric SMILES

CCS(=O)(=O)NC(CC1=CC=CC=C1)C(=O)N2C3=CC=CC=C3C=C2C(=O)NCC4=CC=C(C=C4)C(=N)N.Cl

InChI

InChI=1S/C28H29N5O4S.ClH/c1-2-38(36,37)32-23(16-19-8-4-3-5-9-19)28(35)33-24-11-7-6-10-22(24)17-25(33)27(34)31-18-20-12-14-21(15-13-20)26(29)30;/h3-15,17,23,32H,2,16,18H2,1H3,(H3,29,30)(H,31,34);1H