2-[(4-bromophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: 2-[(4-bromophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: 2-[(4-bromophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: 2-[(4-bromophenyl)sulfonyl-[2-(1-pyrrolidinyl)ethyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: 2-[(4-bromophenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[brosyl(2-pyrrolidinoethyl)amino]-N-homoveratryl-N-[(3-methyl-2-thienyl)methyl]acetamide Formula: C30H38BrN3O5S2 MolecularWeight: 664.67382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=C(SC=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)CN(CCN3CCCC3)S(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C30H38BrN3O5S2/c1-23-13-19-40-29(23)21-33(16-12-24-6-11-27(38-2)28(20-24)39-3)30(35)22-34(18-17-32-14-4-5-15-32)41(36,37)26-9-7-25(31)8-10-26/h6-11,13,19-20H,4-5,12,14-18,21-22H2,1-3H3