N-(2-dimethylaminoethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C19H30N6O3S MolecularWeight: 422.5449

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCN(C)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCCN(C)C)N=N1

InChI

InChI=1S/C19H30N6O3S/c1-4-10-25-18-6-5-16(14-17(18)21-22-25)29(27,28)24-11-7-15(8-12-24)19(26)20-9-13-23(2)3/h5-6,14-15H,4,7-13H2,1-3H3,(H,20,26)