1-(1,3-benzodioxol-5-ylmethyl)-4-(1-prop-2-enylsulfonylpiperidin-3-yl)piperazine

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-prop-2-enylsulfonylpiperidin-3-yl)piperazine Openeye Name: 1-(1-allylsulfonyl-3-piperidyl)-4-(1,3-benzodioxol-5-ylmethyl)piperazine CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-prop-2-enylsulfonyl-3-piperidinyl)piperazine IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-prop-2-enylsulfonylpiperidin-3-yl)piperazine Traditional Name: 1-(1-allylsulfonyl-3-piperidyl)-4-piperonyl-piperazine Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

C=CCS(=O)(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C=CCS(=O)(=O)N1CCCC(C1)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H29N3O4S/c1-2-12-28(24,25)23-7-3-4-18(15-23)22-10-8-21(9-11-22)14-17-5-6-19-20(13-17)27-16-26-19/h2,5-6,13,18H,1,3-4,7-12,14-16H2