4-chloranyl-N-[(2S)-heptan-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-heptan-2-yl]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 4-chloro-N-[(1S)-1-methylhexyl]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 4-chloro-N-[(2S)-heptan-2-yl]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 4-chloro-N-[(2S)-heptan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 4-chloro-N-[(1S)-1-methylhexyl]-3-pyrrolidinosulfonyl-benzamide Formula: C18H27ClN2O3S MolecularWeight: 386.93658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

Isomeric SMILES

CCCCC[C@H](C)NC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C18H27ClN2O3S/c1-3-4-5-8-14(2)20-18(22)15-9-10-16(19)17(13-15)25(23,24)21-11-6-7-12-21/h9-10,13-14H,3-8,11-12H2,1-2H3,(H,20,22)/t14-/m0/s1