3-cyanopropyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: 3-cyanopropyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: 3-cyanopropyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(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=C(C=C2)C(=O)OCCCC#N

Isomeric SMILES

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

InChI

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