2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamide

Systemtic Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamide Openeye Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide CAS Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-[2-methyl-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]acetamide IUPAC Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-[2-methyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide Traditional Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-[2-methyl-4-(2-pyrrolidinoethoxy)phenyl]acetamide Formula: C28H37N5O4S MolecularWeight: 539.68948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)[N+]#[C-])C)CC(=O)NC3=C(C=C(C=C3)OCCN4CCCC4)C

Isomeric SMILES

CC1CN(CC(N1S(=O)(=O)C2=CC=CC(=C2)[N+]#[C-])C)CC(=O)NC3=C(C=C(C=C3)OCCN4CCCC4)C

InChI

InChI=1S/C28H37N5O4S/c1-21-16-25(37-15-14-31-12-5-6-13-31)10-11-27(21)30-28(34)20-32-18-22(2)33(23(3)19-32)38(35,36)26-9-7-8-24(17-26)29-4/h7-11,16-17,22-23H,5-6,12-15,18-20H2,1-3H3,(H,30,34)