azane; ethyl 3-(4-butoxyphenyl)sulfonyl-3-(pyridin-3-ylamino)propanoate

Systemtic Name: azane; ethyl 3-(4-butoxyphenyl)sulfonyl-3-(pyridin-3-ylamino)propanoate Openeye Name: ammonia; ethyl 3-(4-butoxyphenyl)sulfonyl-3-(3-pyridylamino)propanoate CAS Name: ammonia; 3-(4-butoxyphenyl)sulfonyl-3-(3-pyridinylamino)propanoic acid ethyl ester IUPAC Name: azane; ethyl 3-(4-butoxyphenyl)sulfonyl-3-(pyridin-3-ylamino)propanoate Traditional Name: ammonia; 3-(4-butoxyphenyl)sulfonyl-3-(3-pyridylamino)propionic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)OCC)NC2=CN=CC=C2.N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)OCC)NC2=CN=CC=C2.N

InChI

InChI=1S/C20H26N2O5S.H3N/c1-3-5-13-27-17-8-10-18(11-9-17)28(24,25)19(14-20(23)26-4-2)22-16-7-6-12-21-15-16;/h6-12,15,19,22H,3-5,13-14H2,1-2H3;1H3