4-chloranyl-N-[4-methylsulfanyl-1-[(1-methylsulfonylpiperidin-4-yl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[4-methylsulfanyl-1-[(1-methylsulfonylpiperidin-4-yl)amino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[3-methylsulfanyl-1-[(1-methylsulfonyl-4-piperidyl)carbamoyl]propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[1-[(1-methylsulfonyl-4-piperidinyl)amino]-4-(methylthio)-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-methylsulfanyl-1-[(1-methylsulfonylpiperidin-4-yl)amino]-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[1-[(1-mesyl-4-piperidyl)carbamoyl]-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H25ClN4O6S2 MolecularWeight: 492.9973

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1CCN(CC1)S(=O)(=O)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)NC1CCN(CC1)S(=O)(=O)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H25ClN4O6S2/c1-30-10-7-15(18(25)20-13-5-8-22(9-6-13)31(2,28)29)21-17(24)12-3-4-14(19)16(11-12)23(26)27/h3-4,11,13,15H,5-10H2,1-2H3,(H,20,25)(H,21,24)