2-chloranyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-chloranyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: 2-chloro-N-[1-(2-methylpropanoyl)-4-piperidyl]-5-(1-piperidylsulfonyl)benzamide CAS Name: 2-chloro-N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: 2-chloro-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylbenzamide Traditional Name: 2-chloro-N-(1-isobutyryl-4-piperidyl)-5-piperidinosulfonyl-benzamide Formula: C21H30ClN3O4S MolecularWeight: 455.9986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

CC(C)C(=O)N1CCC(CC1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

InChI

InChI=1S/C21H30ClN3O4S/c1-15(2)21(27)24-12-8-16(9-13-24)23-20(26)18-14-17(6-7-19(18)22)30(28,29)25-10-4-3-5-11-25/h6-7,14-16H,3-5,8-13H2,1-2H3,(H,23,26)