(9E,12E)-N-(2-chloranylpyrrol-1-yl)-N-pyridin-4-yl-octadeca-9,12-dienamide; naphthalene-2-sulfonic acid

Systemtic Name: (9E,12E)-N-(2-chloranylpyrrol-1-yl)-N-pyridin-4-yl-octadeca-9,12-dienamide; naphthalene-2-sulfonic acid Openeye Name: (9E,12E)-N-(2-chloropyrrol-1-yl)-N-(4-pyridyl)octadeca-9,12-dienamide; naphthalene-2-sulfonic acid CAS Name: (9E,12E)-N-(2-chloro-1-pyrrolyl)-N-pyridin-4-yloctadeca-9,12-dienamide; 2-naphthalenesulfonic acid IUPAC Name: (9E,12E)-N-(2-chloropyrrol-1-yl)-N-pyridin-4-yloctadeca-9,12-dienamide; naphthalene-2-sulfonic acid Traditional Name: (9E,12E)-N-(2-chloropyrrol-1-yl)-N-(4-pyridyl)octadeca-9,12-dienamide; naphthalene-2-sulfonic acid Formula: C37H46ClN3O4S MolecularWeight: 664.29684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCCCCCCCC(=O)N(C1=CC=NC=C1)N2C=CC=C2Cl.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/CCCCCCCC(=O)N(C1=CC=NC=C1)N2C=CC=C2Cl.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C27H38ClN3O.C10H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-27(32)31(25-20-22-29-23-21-25)30-24-17-18-26(30)28;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h6-7,9-10,17-18,20-24H,2-5,8,11-16,19H2,1H3;1-7H,(H,11,12,13)/b7-6+,10-9+;