4-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]butanoate

Systemtic Name: 4-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]butanoate Openeye Name: 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]butanoate CAS Name: 4-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]butanoate IUPAC Name: 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]butanoate Traditional Name: 4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]butyrate Formula: C17H23N2O5S- MolecularWeight: 367.43992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NCCCC(=O)[O-]

InChI

InChI=1S/C17H24N2O5S/c20-16(21)6-5-11-18-17(22)14-7-9-15(10-8-14)25(23,24)19-12-3-1-2-4-13-19/h7-10H,1-6,11-13H2,(H,18,22)(H,20,21)/p-1