[3-azanyl-3-(phenylsulfonylamino)propanoyl] 5-(pyridin-4-ylmethoxymethyl)thiophene-2-carboxylate

Systemtic Name: [3-azanyl-3-(phenylsulfonylamino)propanoyl] 5-(pyridin-4-ylmethoxymethyl)thiophene-2-carboxylate Openeye Name: [3-amino-3-(benzenesulfonamido)propanoyl] 5-(4-pyridylmethoxymethyl)thiophene-2-carboxylate CAS Name: 5-(pyridin-4-ylmethoxymethyl)-2-thiophenecarboxylic acid [3-amino-3-(benzenesulfonamido)-1-oxopropyl] ester IUPAC Name: [3-amino-3-(benzenesulfonamido)propanoyl] 5-(pyridin-4-ylmethoxymethyl)thiophene-2-carboxylate Traditional Name: 5-(4-pyridylmethoxymethyl)thiophene-2-carboxylic acid [3-amino-3-(benzenesulfonamido)propanoyl] ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC(=O)C2=CC=C(S2)COCC3=CC=NC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CC(=O)OC(=O)C2=CC=C(S2)COCC3=CC=NC=C3)N

InChI

InChI=1S/C21H21N3O6S2/c22-19(24-32(27,28)17-4-2-1-3-5-17)12-20(25)30-21(26)18-7-6-16(31-18)14-29-13-15-8-10-23-11-9-15/h1-11,19,24H,12-14,22H2