2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide

Systemtic Name: 2-[(5-bromanylthiophen-2-yl)methyl-prop-2-enyl-amino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]ethanamide Openeye Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-N-[(4-morpholinosulfonylphenyl)methyl]acetamide CAS Name: 2-[(5-bromo-2-thiophenyl)methyl-prop-2-enylamino]-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]acetamide IUPAC Name: 2-[(5-bromothiophen-2-yl)methyl-prop-2-enylamino]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide Traditional Name: 2-[allyl-[(5-bromo-2-thienyl)methyl]amino]-N-(4-morpholinosulfonylbenzyl)acetamide Formula: C21H26BrN3O4S2 MolecularWeight: 528.48284

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Br)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Br)CC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H26BrN3O4S2/c1-2-9-24(15-18-5-8-20(22)30-18)16-21(26)23-14-17-3-6-19(7-4-17)31(27,28)25-10-12-29-13-11-25/h2-8H,1,9-16H2,(H,23,26)