tert-butyl N-[4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]carbamate CAS Name: N-[4-[[4-(1-azepanylsulfonyl)-1-piperazinyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]carbamate Traditional Name: N-[4-[4-(azepan-1-ylsulfonyl)piperazine-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C22H34N4O5S MolecularWeight: 466.59416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H34N4O5S/c1-22(2,3)31-21(28)23-19-10-8-18(9-11-19)20(27)24-14-16-26(17-15-24)32(29,30)25-12-6-4-5-7-13-25/h8-11H,4-7,12-17H2,1-3H3,(H,23,28)