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3-cyanopropyl 3-(azepan-1-ylsulfonyl)benzoate

3-cyanopropyl 3-(azepan-1-ylsulfonyl)benzoate

Systemtic Name:3-cyanopropyl 3-(azepan-1-ylsulfonyl)benzoate
Openeye Name:3-cyanopropyl 3-(azepan-1-ylsulfonyl)benzoate
CAS Name:3-(1-azepanylsulfonyl)benzoic acid 3-cyanopropyl ester
IUPAC Name:3-cyanopropyl 3-(azepan-1-ylsulfonyl)benzoate
Traditional Name:3-(azepan-1-ylsulfonyl)benzoic acid 3-cyanopropyl ester
Formula: C17H22N2O4S
MolecularWeight: 350.43258
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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC#N


Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCCCC#N


InChI

InChI=1S/C17H22N2O4S/c18-10-3-6-13-23-17(20)15-8-7-9-16(14-15)24(21,22)19-11-4-1-2-5-12-19/h7-9,14H,1-6,11-13H2


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