6-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine

Systemtic Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine Openeye Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-4-(2-naphthylsulfonyl)-2,3-dihydro-1,4-benzoxazine CAS Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]propyl]-4-(2-naphthalenylsulfonyl)-2,3-dihydro-1,4-benzoxazine IUPAC Name: 6-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propyl]-4-naphthalen-2-ylsulfonyl-2,3-dihydro-1,4-benzoxazine Traditional Name: 4-(2-naphthylsulfonyl)-6-[3-(4-piperonylpiperazino)propyl]-2,3-dihydro-1,4-benzoxazine Formula: C33H35N3O5S MolecularWeight: 585.7131

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC2=CC3=C(C=C2)OCCN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4)CC6=CC7=C(C=C6)OCO7

Isomeric SMILES

C1CN(CCN1CCCC2=CC3=C(C=C2)OCCN3S(=O)(=O)C4=CC5=CC=CC=C5C=C4)CC6=CC7=C(C=C6)OCO7

InChI

InChI=1S/C33H35N3O5S/c37-42(38,29-10-9-27-5-1-2-6-28(27)22-29)36-18-19-39-31-11-7-25(20-30(31)36)4-3-13-34-14-16-35(17-15-34)23-26-8-12-32-33(21-26)41-24-40-32/h1-2,5-12,20-22H,3-4,13-19,23-24H2