N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-(1,2,4-triazol-1-yl)butanamide

Systemtic Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-(1,2,4-triazol-1-yl)butanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-(1,2,4-triazol-1-yl)butanamide CAS Name: N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methyl-2-(1,2,4-triazol-1-yl)butanamide IUPAC Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(1,2,4-triazol-1-yl)butanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-methyl-2-(1,2,4-triazol-1-yl)butyramide Formula: C19H27N5O4S MolecularWeight: 421.51378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C(C)C)N2C=NC=N2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C(C(C)C)N2C=NC=N2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C19H27N5O4S/c1-4-28-16-8-7-15(11-17(16)29(26,27)23-9-5-6-10-23)22-19(25)18(14(2)3)24-13-20-12-21-24/h7-8,11-14,18H,4-6,9-10H2,1-3H3,(H,22,25)