ethyl 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-piperidin-4-yloxy-2,3-dihydroindol-1-yl]sulfonyl]butanoate dihydrochloride

Systemtic Name: ethyl 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-piperidin-4-yloxy-2,3-dihydroindol-1-yl]sulfonyl]butanoate dihydrochloride Openeye Name: ethyl 4-[2-(7-carbamimidoyl-2-naphthyl)-5-(4-piperidyloxy)indolin-1-yl]sulfonylbutanoate dihydrochloride CAS Name: 4-[[2-(7-carbamimidoyl-2-naphthalenyl)-5-(4-piperidinyloxy)-2,3-dihydroindol-1-yl]sulfonyl]butanoic acid ethyl ester dihydrochloride IUPAC Name: ethyl 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-piperidin-4-yloxy-2,3-dihydroindol-1-yl]sulfonyl]butanoate dihydrochloride Traditional Name: 4-[2-(7-amidino-2-naphthyl)-5-(4-piperidyloxy)indolin-1-yl]sulfonylbutyric acid ethyl ester dihydrochloride Formula: C30H38Cl2N4O5S MolecularWeight: 637.61752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCNCC3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

Isomeric SMILES

CCOC(=O)CCCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCNCC3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N.Cl.Cl

InChI

InChI=1S/C30H36N4O5S.2ClH/c1-2-38-29(35)4-3-15-40(36,37)34-27-10-9-26(39-25-11-13-33-14-12-25)18-24(27)19-28(34)21-7-5-20-6-8-22(30(31)32)17-23(20)16-21;;/h5-10,16-18,25,28,33H,2-4,11-15,19H2,1H3,(H3,31,32);2*1H