2-[(4-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(4-bromophenyl)sulfonyl-isopentyl-amino]-N-[(6-methyl-4-oxo-chromen-3-yl)methyl]acetamide CAS Name: 2-[(4-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(4-bromophenyl)sulfonyl-(3-methylbutyl)amino]-N-[(6-methyl-4-oxochromen-3-yl)methyl]acetamide Traditional Name: N-benzyl-2-[brosyl(isoamyl)amino]-N-[(4-keto-6-methyl-chromen-3-yl)methyl]acetamide Formula: C31H33BrN2O5S MolecularWeight: 625.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CCC(C)C)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)CN(CC3=CC=CC=C3)C(=O)CN(CCC(C)C)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C31H33BrN2O5S/c1-22(2)15-16-34(40(37,38)27-12-10-26(32)11-13-27)20-30(35)33(18-24-7-5-4-6-8-24)19-25-21-39-29-14-9-23(3)17-28(29)31(25)36/h4-14,17,21-22H,15-16,18-20H2,1-3H3