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

Systemtic Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamide Openeye Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazin-1-yl]-N-[2-methyl-3-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide CAS Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-1-piperazinyl]-N-[2-methyl-3-[2-(1-pyrrolidinyl)ethoxy]phenyl]acetamide IUPAC Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethylpiperazin-1-yl]-N-[2-methyl-3-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide Traditional Name: 2-[4-(3-isocyanophenyl)sulfonyl-3,5-dimethyl-piperazino]-N-[2-methyl-3-(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(=CC=C3)OCCN4CCCC4)C

Isomeric SMILES

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

InChI

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