N-[[(2S,5S)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[(2S,5S)-5-methyl-2-propan-2-yl-cyclohexylidene]amino]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[(2S,5S)-2-isopropyl-5-methyl-cyclohexylidene]amino]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[(2S,5S)-5-methyl-2-propan-2-ylcyclohexylidene]amino]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[(2S,5S)-2-isopropyl-5-methyl-cyclohexylidene]amino]-4-pyrrolidinosulfonyl-benzamide Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C1)C(C)C

Isomeric SMILES

C[C@H]1CC[C@H](C(=NNC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C1)C(C)C

InChI

InChI=1S/C21H31N3O3S/c1-15(2)19-11-6-16(3)14-20(19)22-23-21(25)17-7-9-18(10-8-17)28(26,27)24-12-4-5-13-24/h7-10,15-16,19H,4-6,11-14H2,1-3H3,(H,23,25)/t16-,19-/m0/s1