N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(Z)-[(3R)-3,7-dimethyloct-6-enylidene]amino]-3-pyrrolidinosulfonyl-benzamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CC=NNC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

C[C@H](CCC=C(C)C)C/C=N\NC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C21H31N3O3S/c1-17(2)8-6-9-18(3)12-13-22-23-21(25)19-10-7-11-20(16-19)28(26,27)24-14-4-5-15-24/h7-8,10-11,13,16,18H,4-6,9,12,14-15H2,1-3H3,(H,23,25)/b22-13-/t18-/m1/s1