3-phenylpropyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(azepan-1-ylsulfonyl)phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[4-(azepan-1-ylsulfonyl)anilino]-5-oxo-pentanoate CAS Name: 5-[4-(1-azepanylsulfonyl)anilino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[4-(azepan-1-ylsulfonyl)anilino]-5-oxopentanoate Traditional Name: 5-[4-(azepan-1-ylsulfonyl)anilino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H34N2O5S MolecularWeight: 486.62356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C26H34N2O5S/c29-25(13-8-14-26(30)33-21-9-12-22-10-4-3-5-11-22)27-23-15-17-24(18-16-23)34(31,32)28-19-6-1-2-7-20-28/h3-5,10-11,15-18H,1-2,6-9,12-14,19-21H2,(H,27,29)