3-(1,2,4-triazol-1-yl)propyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 3-(1,2,4-triazol-1-yl)propyl 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: 3-(1,2,4-triazol-1-yl)propyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 3-(1,2,4-triazol-1-yl)propyl ester IUPAC Name: 3-(1,2,4-triazol-1-yl)propyl 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid 3-(1,2,4-triazol-1-yl)propyl ester Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCN3C=NC=N3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCN3C=NC=N3

InChI

InChI=1S/C18H23N5O5S/c1-15(24)21-7-9-23(10-8-21)29(26,27)17-5-2-4-16(12-17)18(25)28-11-3-6-22-14-19-13-20-22/h2,4-5,12-14H,3,6-11H2,1H3