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

Systemtic Name: 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]butanoic acid Openeye Name: 4-[2-(7-carbamimidoyl-2-naphthyl)-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]sulfonylbutanoic acid CAS Name: 4-[[2-(7-carbamimidoyl-2-naphthalenyl)-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]sulfonyl]butanoic acid IUPAC Name: 4-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]butanoic acid Traditional Name: 4-[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-(7-amidino-2-naphthyl)indolin-1-yl]sulfonylbutyric acid Formula: C30H35N5O5S MolecularWeight: 577.6944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(C3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N)S(=O)(=O)CCCC(=O)O

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC3=C(C=C2)N(C(C3)C4=CC5=C(C=C4)C=CC(=C5)C(=N)N)S(=O)(=O)CCCC(=O)O

InChI

InChI=1S/C30H35N5O5S/c1-19(31)34-12-10-25(11-13-34)40-26-8-9-27-24(17-26)18-28(35(27)41(38,39)14-2-3-29(36)37)21-6-4-20-5-7-22(30(32)33)16-23(20)15-21/h4-9,15-17,25,28,31H,2-3,10-14,18H2,1H3,(H3,32,33)(H,36,37)