(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(1-pyrrolidinylsulfonyl)anilino]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(3-pyrrolidin-1-ylsulfonylanilino)propanamide Traditional Name: (2S)-N-piperonyl-2-(3-pyrrolidinosulfonylanilino)propionamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC2=C(C=C1)OCO2)NC3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N3O5S/c1-15(21(25)22-13-16-7-8-19-20(11-16)29-14-28-19)23-17-5-4-6-18(12-17)30(26,27)24-9-2-3-10-24/h4-8,11-12,15,23H,2-3,9-10,13-14H2,1H3,(H,22,25)/t15-/m0/s1