ethyl 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]butanoate

Systemtic Name: ethyl 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]butanoate Openeye Name: ethyl 4-[2-(7-carbamimidoyl-2-naphthyl)-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]sulfonylbutanoate CAS Name: 4-[[2-(7-carbamimidoyl-2-naphthalenyl)-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]sulfonyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]butanoate Traditional Name: 4-[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-(7-amidino-2-naphthyl)indolin-1-yl]sulfonylbutyric acid ethyl ester Formula: C32H39N5O5S MolecularWeight: 605.74756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

Isomeric SMILES

CCOC(=O)CCCS(=O)(=O)N1C(CC2=C1C=CC(=C2)OC3CCN(CC3)C(=N)C)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N

InChI

InChI=1S/C32H39N5O5S/c1-3-41-31(38)5-4-16-43(39,40)37-29-11-10-28(42-27-12-14-36(15-13-27)21(2)33)19-26(29)20-30(37)23-8-6-22-7-9-24(32(34)35)18-25(22)17-23/h6-11,17-19,27,30,33H,3-5,12-16,20H2,1-2H3,(H3,34,35)