N-[(3-methylthiophen-2-yl)methyl]-2-[2-phenylethenylsulfonyl(2-pyrrolidin-1-ylethyl)amino]-N-(phenylmethyl)ethanamide

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-2-[2-phenylethenylsulfonyl(2-pyrrolidin-1-ylethyl)amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-[(3-methyl-2-thienyl)methyl]-2-[2-pyrrolidin-1-ylethyl(styrylsulfonyl)amino]acetamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-2-[2-phenylethenylsulfonyl-[2-(1-pyrrolidinyl)ethyl]amino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-[2-phenylethenylsulfonyl(2-pyrrolidin-1-ylethyl)amino]acetamide Traditional Name: N-benzyl-N-[(3-methyl-2-thienyl)methyl]-2-[2-pyrrolidinoethyl(styrylsulfonyl)amino]acetamide Formula: C29H35N3O3S2 MolecularWeight: 537.7365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)CN(CCN3CCCC3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC=CC=C2)C(=O)CN(CCN3CCCC3)S(=O)(=O)C=CC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3S2/c1-25-14-20-36-28(25)23-31(22-27-12-6-3-7-13-27)29(33)24-32(19-18-30-16-8-9-17-30)37(34,35)21-15-26-10-4-2-5-11-26/h2-7,10-15,20-21H,8-9,16-19,22-24H2,1H3