N-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-4-thiophen-2-yl-benzamide

Systemtic Name: N-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-4-thiophen-2-yl-benzamide Openeye Name: N-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-4-(2-thienyl)benzamide CAS Name: N-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]-4-thiophen-2-ylbenzamide IUPAC Name: N-[(3S)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]-4-thiophen-2-ylbenzamide Traditional Name: N-[(3S)-1-piperonylpyrrolidin-3-yl]-4-(2-thienyl)benzamide Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CC=C(C=C2)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(C[C@H]1NC(=O)C2=CC=C(C=C2)C3=CC=CS3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H22N2O3S/c26-23(18-6-4-17(5-7-18)22-2-1-11-29-22)24-19-9-10-25(14-19)13-16-3-8-20-21(12-16)28-15-27-20/h1-8,11-12,19H,9-10,13-15H2,(H,24,26)/t19-/m0/s1