methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-(azepan-1-ylsulfonyl)phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-(1-azepanylsulfonyl)phenyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O5S/c1-30-23(27)21(17-18-9-5-4-6-10-18)24-22(26)19-11-13-20(14-12-19)31(28,29)25-15-7-2-3-8-16-25/h4-6,9-14,21H,2-3,7-8,15-17H2,1H3,(H,24,26)