3-chloranyl-N-[4-(2-methylpiperidin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-(2-methylpiperidin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-(2-methyl-1-piperidyl)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-(2-methyl-1-piperidinyl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-(2-methylpiperidin-1-yl)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-(2-methylpiperidino)phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCCCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-13-5-2-3-12-24(13)15-10-8-14(9-11-15)23-21(26)20-18(22)16-6-4-7-17(25(27)28)19(16)29-20/h4,6-11,13H,2-3,5,12H2,1H3,(H,23,26)