3-methyl-N-[3-methyl-1-oxidanylidene-1-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]butan-2-yl]benzamide

Systemtic Name: 3-methyl-N-[3-methyl-1-oxidanylidene-1-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]butan-2-yl]benzamide Openeye Name: 3-methyl-N-[2-methyl-1-[(5-pyrrolidin-1-ylsulfonyl-2-thienyl)methylcarbamoyl]propyl]benzamide CAS Name: 3-methyl-N-[3-methyl-1-oxo-1-[[5-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methylamino]butan-2-yl]benzamide IUPAC Name: 3-methyl-N-[3-methyl-1-oxo-1-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methylamino]butan-2-yl]benzamide Traditional Name: 3-methyl-N-[2-methyl-1-[(5-pyrrolidinosulfonyl-2-thienyl)methylcarbamoyl]propyl]benzamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)NCC2=CC=C(S2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C22H29N3O4S2/c1-15(2)20(24-21(26)17-8-6-7-16(3)13-17)22(27)23-14-18-9-10-19(30-18)31(28,29)25-11-4-5-12-25/h6-10,13,15,20H,4-5,11-12,14H2,1-3H3,(H,23,27)(H,24,26)