ethyl 3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate

Systemtic Name: ethyl 3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate Openeye Name: ethyl 3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonyl-benzimidazol-2-yl)propanoate CAS Name: 3-(4-carbamimidoylphenyl)-3-[1-methyl-5-(1-pyrrolidinylsulfonyl)-2-benzimidazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-(4-carbamimidoylphenyl)-3-(1-methyl-5-pyrrolidin-1-ylsulfonylbenzimidazol-2-yl)propanoate Traditional Name: 3-(4-amidinophenyl)-3-(1-methyl-5-pyrrolidinosulfonyl-benzimidazol-2-yl)propionic acid ethyl ester Formula: C24H29N5O4S MolecularWeight: 483.58316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=C(C=C1)C(=N)N)C2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CC(C1=CC=C(C=C1)C(=N)N)C2=NC3=C(N2C)C=CC(=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C24H29N5O4S/c1-3-33-22(30)15-19(16-6-8-17(9-7-16)23(25)26)24-27-20-14-18(10-11-21(20)28(24)2)34(31,32)29-12-4-5-13-29/h6-11,14,19H,3-5,12-13,15H2,1-2H3,(H3,25,26)