(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide; naphthalene-2-sulfonic acid

Systemtic Name: (E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide; naphthalene-2-sulfonic acid Openeye Name: (E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide; naphthalene-2-sulfonic acid CAS Name: (E)-N-(2-aminophenyl)-3-[1-[4-(1-methyl-4-pyrazolyl)phenyl]sulfonyl-3-pyrrolyl]-2-propenamide; 2-naphthalenesulfonic acid IUPAC Name: (E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide; naphthalene-2-sulfonic acid Traditional Name: (E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]acrylamide; naphthalene-2-sulfonic acid Formula: C33H29N5O6S2 MolecularWeight: 655.74326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)C=CC(=O)NC4=CC=CC=C4N.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

Isomeric SMILES

CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(=C3)/C=C/C(=O)NC4=CC=CC=C4N.C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)O

InChI

InChI=1S/C23H21N5O3S.C10H8O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24;11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10/h2-16H,24H2,1H3,(H,26,29);1-7H,(H,11,12,13)/b11-6+;