[2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [2-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(4-ethoxy-3-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C25H32N5O4S+ MolecularWeight: 498.61768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C25H31N5O4S/c1-3-34-23-12-11-21(15-24(23)35(32,33)29-13-7-8-14-29)27-25(31)19-28(2)17-20-16-26-30(18-20)22-9-5-4-6-10-22/h4-6,9-12,15-16,18H,3,7-8,13-14,17,19H2,1-2H3,(H,27,31)/p+1