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

Systemtic Name: N-[(3-methylthiophen-2-yl)methyl]-2-[octylsulfonyl(2-pyrrolidin-1-ylethyl)amino]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-[(3-methyl-2-thienyl)methyl]-2-[octylsulfonyl(2-pyrrolidin-1-ylethyl)amino]acetamide CAS Name: N-[(3-methyl-2-thiophenyl)methyl]-2-[octylsulfonyl-[2-(1-pyrrolidinyl)ethyl]amino]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-[octylsulfonyl(2-pyrrolidin-1-ylethyl)amino]acetamide Traditional Name: N-benzyl-N-[(3-methyl-2-thienyl)methyl]-2-[octylsulfonyl(2-pyrrolidinoethyl)amino]acetamide Formula: C29H45N3O3S2 MolecularWeight: 547.8159

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)N(CCN1CCCC1)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C

Isomeric SMILES

CCCCCCCCS(=O)(=O)N(CCN1CCCC1)CC(=O)N(CC2=CC=CC=C2)CC3=C(C=CS3)C

InChI

InChI=1S/C29H45N3O3S2/c1-3-4-5-6-7-13-22-37(34,35)32(20-19-30-17-11-12-18-30)25-29(33)31(23-27-14-9-8-10-15-27)24-28-26(2)16-21-36-28/h8-10,14-16,21H,3-7,11-13,17-20,22-25H2,1-2H3