3-methylbutyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: 3-methylbutyl 4-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: isopentyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-acetylpiperazino)sulfonylbenzoic acid isoamyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C

InChI

InChI=1S/C18H26N2O5S/c1-14(2)8-13-25-18(22)16-4-6-17(7-5-16)26(23,24)20-11-9-19(10-12-20)15(3)21/h4-7,14H,8-13H2,1-3H3