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

Systemtic Name: 2-chloranyl-N-[1-(phenylmethyl)piperidin-4-yl]-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-chloro-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-chloro-N-[1-(phenylmethyl)-4-piperidinyl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-chloro-5-pyrrolidinosulfonyl-benzamide Formula: C23H28ClN3O3S MolecularWeight: 462.00472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)NC3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28ClN3O3S/c24-22-9-8-20(31(29,30)27-12-4-5-13-27)16-21(22)23(28)25-19-10-14-26(15-11-19)17-18-6-2-1-3-7-18/h1-3,6-9,16,19H,4-5,10-15,17H2,(H,25,28)