ethyl 6-[5-oxidanylidene-9-(1-sulfonylpentan-3-ylamino)benzo[a]phenoxazin-2-yl]oxyhexanoate

Systemtic Name: ethyl 6-[5-oxidanylidene-9-(1-sulfonylpentan-3-ylamino)benzo[a]phenoxazin-2-yl]oxyhexanoate Openeye Name: ethyl 6-[9-[(1-ethyl-3-sulfonyl-propyl)amino]-5-oxo-benzo[a]phenoxazin-2-yl]oxyhexanoate CAS Name: 6-[[5-oxo-9-(1-sulfonylpentan-3-ylamino)-2-benzo[a]phenoxazinyl]oxy]hexanoic acid ethyl ester IUPAC Name: ethyl 6-[5-oxo-9-(1-sulfonylpentan-3-ylamino)benzo[a]phenoxazin-2-yl]oxyhexanoate Traditional Name: 6-[9-[(1-ethyl-3-sulfonyl-propyl)amino]-5-keto-benzo[a]phenoxazin-2-yl]oxyhexanoic acid ethyl ester Formula: C29H32N2O7S MolecularWeight: 552.63858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC=S(=O)=O)NC1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)OCC)O2

Isomeric SMILES

CCC(CC=S(=O)=O)NC1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)OCC)O2

InChI

InChI=1S/C29H32N2O7S/c1-3-19(13-15-39(34)35)30-20-9-12-24-26(16-20)38-27-18-25(32)22-11-10-21(17-23(22)29(27)31-24)37-14-7-5-6-8-28(33)36-4-2/h9-12,15-19,30H,3-8,13-14H2,1-2H3