ethyl 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoate

Systemtic Name: ethyl 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoate Openeye Name: ethyl 6-[2-(7-carbamimidoyl-2-naphthyl)-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]sulfonylhexanoate CAS Name: 6-[[2-(7-carbamimidoyl-2-naphthalenyl)-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]sulfonyl]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoate Traditional Name: 6-[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-(7-amidino-2-naphthyl)indolin-1-yl]sulfonylhexanoic acid ethyl ester Formula: C34H43N5O5S MolecularWeight: 633.80072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCS(=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)CCCCCS(=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/C34H43N5O5S/c1-3-43-33(40)7-5-4-6-18-45(41,42)39-31-13-12-30(44-29-14-16-38(17-15-29)23(2)35)21-28(31)22-32(39)25-10-8-24-9-11-26(34(36)37)20-27(24)19-25/h8-13,19-21,29,32,35H,3-7,14-18,22H2,1-2H3,(H3,36,37)