methyl 3-[3-methyl-5-[[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-sulfonate

Systemtic Name: methyl 3-[3-methyl-5-[[4-(C-pyrrolidin-1-ylcarbonimidoyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-sulfonate Openeye Name: methyl 3-[3-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-sulfonate CAS Name: 3-[5-[[4-[imino(1-pyrrolidinyl)methyl]anilino]-oxomethyl]-3-methyl-1-pyrazolyl]-2-naphthalenesulfonic acid methyl ester IUPAC Name: methyl 3-[3-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-sulfonate Traditional Name: 3-[3-methyl-5-[[4-(pyrrolidine-1-carboximidoyl)phenyl]carbamoyl]pyrazol-1-yl]naphthalene-2-sulfonic acid methyl ester Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N3CCCC3)C4=CC5=CC=CC=C5C=C4S(=O)(=O)OC

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=C(C=C2)C(=N)N3CCCC3)C4=CC5=CC=CC=C5C=C4S(=O)(=O)OC

InChI

InChI=1S/C27H27N5O4S/c1-18-15-24(27(33)29-22-11-9-19(10-12-22)26(28)31-13-5-6-14-31)32(30-18)23-16-20-7-3-4-8-21(20)17-25(23)37(34,35)36-2/h3-4,7-12,15-17,28H,5-6,13-14H2,1-2H3,(H,29,33)