2-(aminocarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-butanamide

Systemtic Name: 2-(aminocarbonylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-butanamide Openeye Name: N-(4-ethoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)-3-methyl-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-N-[4-ethoxy-3-(1-pyrrolidinylsulfonyl)phenyl]-3-methylbutanamide IUPAC Name: 2-(carbamoylamino)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methylbutanamide Traditional Name: N-(4-ethoxy-3-pyrrolidinosulfonyl-phenyl)-3-methyl-2-ureido-butyramide Formula: C18H28N4O5S MolecularWeight: 412.50372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)N)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)N)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H28N4O5S/c1-4-27-14-8-7-13(20-17(23)16(12(2)3)21-18(19)24)11-15(14)28(25,26)22-9-5-6-10-22/h7-8,11-12,16H,4-6,9-10H2,1-3H3,(H,20,23)(H3,19,21,24)