(4-propan-2-ylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: (4-propan-2-ylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: (4-isopropylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid (4-isopropylbenzyl) ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-18(2)20-9-7-19(8-10-20)17-28-23(25)21-11-13-22(14-12-21)29(26,27)24-15-5-3-4-6-16-24/h7-14,18H,3-6,15-17H2,1-2H3