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

Systemtic Name: 2-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]ethanoic acid Openeye Name: 2-[2-(7-carbamimidoyl-2-naphthyl)-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]sulfonylacetic acid CAS Name: 2-[[2-(7-carbamimidoyl-2-naphthalenyl)-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]sulfonyl]acetic acid IUPAC Name: 2-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]acetic acid Traditional Name: 2-[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-(7-amidino-2-naphthyl)indolin-1-yl]sulfonylacetic acid Formula: C28H31N5O5S MolecularWeight: 549.64124

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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)CC(=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)CC(=O)O

InChI

InChI=1S/C28H31N5O5S/c1-17(29)32-10-8-23(9-11-32)38-24-6-7-25-22(14-24)15-26(33(25)39(36,37)16-27(34)35)19-4-2-18-3-5-20(28(30)31)13-21(18)12-19/h2-7,12-14,23,26,29H,8-11,15-16H2,1H3,(H3,30,31)(H,34,35)