pentyl 1-azanyl-4-(propanoylamino)-3-sulfonyl-2-(3-thiophen-2-ylphenyl)piperidine-2-carboxylate

Systemtic Name: pentyl 1-azanyl-4-(propanoylamino)-3-sulfonyl-2-(3-thiophen-2-ylphenyl)piperidine-2-carboxylate Openeye Name: pentyl 1-amino-4-(propanoylamino)-3-sulfonyl-2-[3-(2-thienyl)phenyl]piperidine-2-carboxylate CAS Name: 1-amino-4-(1-oxopropylamino)-3-sulfonyl-2-(3-thiophen-2-ylphenyl)-2-piperidinecarboxylic acid pentyl ester IUPAC Name: pentyl 1-amino-4-(propanoylamino)-3-sulfonyl-2-(3-thiophen-2-ylphenyl)piperidine-2-carboxylate Traditional Name: 1-amino-4-propionamido-3-sulfonyl-2-[3-(2-thienyl)phenyl]pipecolinic acid amyl ester Formula: C24H31N3O5S2 MolecularWeight: 505.65004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1(C(=S(=O)=O)C(CCN1N)NC(=O)CC)C2=CC=CC(=C2)C3=CC=CS3

Isomeric SMILES

CCCCCOC(=O)C1(C(=S(=O)=O)C(CCN1N)NC(=O)CC)C2=CC=CC(=C2)C3=CC=CS3

InChI

InChI=1S/C24H31N3O5S2/c1-3-5-6-14-32-23(29)24(18-10-7-9-17(16-18)20-11-8-15-33-20)22(34(30)31)19(12-13-27(24)25)26-21(28)4-2/h7-11,15-16,19H,3-6,12-14,25H2,1-2H3,(H,26,28)