N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-3-methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3-methyl-1-phenylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-3-methyl-1-phenyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C26H28N4O3S2 MolecularWeight: 508.65552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(S2)N(N=C3C)C4=CC=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C26H28N4O3S2/c1-18-12-13-20(16-24(18)35(32,33)29-14-8-3-4-9-15-29)27-25(31)23-17-22-19(2)28-30(26(22)34-23)21-10-6-5-7-11-21/h5-7,10-13,16-17H,3-4,8-9,14-15H2,1-2H3,(H,27,31)