N-[1-(7-chloranyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methylsulfonyl-5-piperazin-1-yl-aniline

Systemtic Name: N-[1-(7-chloranyl-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methylsulfonyl-5-piperazin-1-yl-aniline Openeye Name: N-[1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methylsulfonyl-5-piperazin-1-yl-aniline CAS Name: N-[1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methylsulfonyl-5-(1-piperazinyl)aniline IUPAC Name: N-[1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl]-2-methylsulfonyl-5-piperazin-1-ylaniline Traditional Name: 1-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)ethyl-(2-mesyl-5-piperazino-phenyl)amine Formula: C21H26ClN3O4S MolecularWeight: 451.96684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC2=C1OCCO2)Cl)NC3=C(C=CC(=C3)N4CCNCC4)S(=O)(=O)C

Isomeric SMILES

CC(C1=CC(=CC2=C1OCCO2)Cl)NC3=C(C=CC(=C3)N4CCNCC4)S(=O)(=O)C

InChI

InChI=1S/C21H26ClN3O4S/c1-14(17-11-15(22)12-19-21(17)29-10-9-28-19)24-18-13-16(25-7-5-23-6-8-25)3-4-20(18)30(2,26)27/h3-4,11-14,23-24H,5-10H2,1-2H3