N-[(4-dimethylaminophenyl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-1-propylsulfonyl-piperidine-3-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-1-propylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-1-propylsulfonyl-nipecotamide Formula: C18H29N3O3S MolecularWeight: 367.50616

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CCCS(=O)(=O)N1CCCC(C1)C(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C18H29N3O3S/c1-4-12-25(23,24)21-11-5-6-16(14-21)18(22)19-13-15-7-9-17(10-8-15)20(2)3/h7-10,16H,4-6,11-14H2,1-3H3,(H,19,22)