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

Systemtic Name: 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoic acid Openeye Name: 6-[2-(7-carbamimidoyl-2-naphthyl)-5-[(1-ethanimidoyl-4-piperidyl)oxy]indolin-1-yl]sulfonylhexanoic acid CAS Name: 6-[[2-(7-carbamimidoyl-2-naphthalenyl)-5-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-2,3-dihydroindol-1-yl]sulfonyl]hexanoic acid IUPAC Name: 6-[[2-(7-carbamimidoylnaphthalen-2-yl)-5-(1-ethanimidoylpiperidin-4-yl)oxy-2,3-dihydroindol-1-yl]sulfonyl]hexanoic acid Traditional Name: 6-[5-[(1-acetimidoyl-4-piperidyl)oxy]-2-(7-amidino-2-naphthyl)indolin-1-yl]sulfonylhexanoic acid Formula: C32H39N5O5S MolecularWeight: 605.74756

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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)CCCCCC(=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)CCCCCC(=O)O

InChI

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