N-[(4-dimethylaminophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-piperidine-4-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-1-[(1-propyl-5-benzotriazolyl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-1-(1-propylbenzotriazol-5-yl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-1-(1-propylbenzotriazol-5-yl)sulfonyl-isonipecotamide Formula: C24H32N6O3S MolecularWeight: 484.61428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)N(C)C)N=N1

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCC(CC3)C(=O)NCC4=CC=C(C=C4)N(C)C)N=N1

InChI

InChI=1S/C24H32N6O3S/c1-4-13-30-23-10-9-21(16-22(23)26-27-30)34(32,33)29-14-11-19(12-15-29)24(31)25-17-18-5-7-20(8-6-18)28(2)3/h5-10,16,19H,4,11-15,17H2,1-3H3,(H,25,31)