methyl N-[4-[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]carbamate

Systemtic Name: methyl N-[4-[3-(azepan-1-ylcarbonyl)piperidin-1-yl]sulfonylphenyl]carbamate Openeye Name: methyl N-[4-[[3-(azepane-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]carbamate CAS Name: N-[4-[[3-[1-azepanyl(oxo)methyl]-1-piperidinyl]sulfonyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[3-(azepane-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate Traditional Name: N-[4-[3-(azepane-1-carbonyl)piperidino]sulfonylphenyl]carbamic acid methyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C20H29N3O5S/c1-28-20(25)21-17-8-10-18(11-9-17)29(26,27)23-14-6-7-16(15-23)19(24)22-12-4-2-3-5-13-22/h8-11,16H,2-7,12-15H2,1H3,(H,21,25)