N-[2-[2-(azepan-1-yl)ethylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: N-[2-[2-(azepan-1-yl)ethylamino]-2-oxidanylidene-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: N-[2-[2-(azepan-1-yl)ethylamino]-2-oxo-ethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-piperazine-2-carboxamide CAS Name: N-[2-[2-(1-azepanyl)ethylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxo-2-piperazinecarboxamide IUPAC Name: N-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide Traditional Name: N-[2-[2-(azepan-1-yl)ethylamino]-2-keto-ethyl]-6-keto-4-mesyl-1,2-dimethyl-piperazine-2-carboxamide Formula: C18H33N5O5S MolecularWeight: 431.55012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCCN2CCCCCC2

Isomeric SMILES

CC1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCCN2CCCCCC2

InChI

InChI=1S/C18H33N5O5S/c1-18(14-23(29(3,27)28)13-16(25)21(18)2)17(26)20-12-15(24)19-8-11-22-9-6-4-5-7-10-22/h4-14H2,1-3H3,(H,19,24)(H,20,26)